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Groundwater

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001,pp.3-16

S. Mohan

1.

INTRODUCTION

Throughout the world, there has been a growing concern about the water resources, especially water crisis, and a re examination of the relationship between different water resources and the relationship between water and environment assume a great role. The United Nations recently surveyed a group of leading thinkers from many disciplines on the most important issues facing humankind in the next century. In its report, the scarcity of freshwater in localized areas ranked as the worlds second most priming concern (after population growth) in area where people can least afford the necessities of like. To meet the increasing demand of water, there is a need to tap the groundwater resources consigned over the world. This process causes concern over the sustainable use of this resources and the reservation of environment. India is vast country with a geographical area of 328 million hectares (M.Ha.m.). It receives an average annual rainfall of 1170 millimeters (mm), which is the highest in the world among countries of comparable size. India receives most of its rainfall from the southwest monsoon originating in the Indian Ocean and having two distinct branches; the Arabian sea branch and the Bay of Bengal branch. The Arabian Sea branch produces rainfall in Peninsular India and part of Gujarat and Rajasthan. The rest of India receives rainfall from the Bay of Bengal branch. The windward sides 3

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The progress of research in groundwater modelling from the past and basic aspects of modelling techniques and requirements for modelling are explained in this paper. The application of groundwater techniques in two different regions are given. The first study explain the use of groundwater modelling studies in to evaluate the effectiveness of percolation ponds. The second can study demonstrate the application of groundwater modelling to study seawater intrusion in coastal aquifer. Keywords : Groundwater modelling, Requirements, Percolation ponds, Seawater intrusion.

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Abstract

Modelling in Hydrogeology

of the hills and mountain ranges receive high rainfall while the leeward side and the interior of the vast plains receive less rainfall. For example, the Khasi and Jaintia hill areas in the northeast of the country receive as much as 10,000mm of rainfall where as western Rajasthan receives only 150 to 200 mm. About 75% of the rainfall takes place in the four monsoon months of June to September. Another 10% to 11% each occur in the pre-monsoon and post-monsoon months of March to May and October to December respectively, the winter rainfall (January-February) being only of the order of 4 to 5%. There is thus a large variation exists between different seasons. There is also large variation in the rainfall from year to year, usually in cycles of wet years followed by dry years There have been varying estimates about the total precipitation in the country and its sub-distribution into evaporation and transpiration, surface flow, sub-surface flow and regeneration and contribution to ground water recharge. I am quoting here the comprehensive set of figures assessed by the National Agricultural Commission in 1976. According to them, the average annual precipitation over the whole county, (including snow fall which constitutes only a small part, about 2 to 3%) is 400 million hectare meters (M.ha.m.) of which about 70 M.ha.m. evaporate immediately from the top soil, 215 M.ha.m infiltrate into the ground out of which 165 M.ha.m. go back to the atmosphere as evaporation and transpiration and 50 M.ha.m go down to recharge the ground water. It is also envisaged that 5 to 10 M.ha.m will go from stream flows to found water during floods and further that about 50% of the irrigation water will also go to ground water. At the same time, 45 M.ha.m of ground water is estimated to reappear as surface flow (regeneration) in streams and rivers during the low-flow season. The resultant surface flow including 20 M.ha.m received from adjoining countries estimated to be 185 M.ha.m on full harnessing and mobilization of these water resources, say, by 2025 AD, (Techno-economically feasible development), it is envisaged that 70 M.ha.m of surface water and 35 M.ha.m of groundwater can be mobilized for-consumptive use. The projected use out of this 105 M.ha.m. water is 77 M.ha.m for irrigation and 28 M.ha.m for domestic and industrial water supply and all other purposes. It is relevant to emphasis that the return flow from ground water (45 M.ha.m) is the main contributor to the dry-weather flow in streams and rivers. It is also important to draw attention to the postulation that in the time ultimate stage 25 M.ha.m of ground water is to be contributed by surface irrigation. It is on this premise that 35 M.ha.m of groundwater has been considered extractable annually for consumptive use. If in the long run, all the canal system are progressively lined and more efficient methods of irrigation like sprinkler and drip irrigation are adopted, the contribution from irrigation to ground water may be only of the order of 20 to 25 M. ha.m. Any overextraction of ground water will correspondingly reduce the precious dry weather flows in streams and rivers and lower the permanent ground water table, thereby upsetting the ground water regime. The often-profounded idea that there exists an infinite quantum of ground water, which can readily be extracted for consumptive

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Modelling in Hydrogeology

use without any detriment to the surface water regime, does not have any scientific backing. Consequent to the seasonal concentration of rainfall, the river flows are also concentrated (about 85%) in the period June to November, and that too during four or five flood spells of 5to 10 days each. On the other hand, during the months of April, May and part of June, consequent to the progressively decreasing groundwater return flow, the river flows dwindle to a trickle. In a country like India, where more than 70 percent of the total area is underlain by hard rocks, formations like granites, gneisses and other consolidated rocks which for in shallow aquifers of limited thickness. It is essential to tap this ground water in whatever available quantity. Due to the poor availability of water and complex hydrogeology of hard rock aquifers, exploration is a very difficult job in these areas. However some ground water is often available in areas underlain by hard rocks, though the quantity available is very small as compared to unconsolidated aquifers. 2. GROUND WATER RESEARCH

All that changed in the mid seventies, thanks to the discovery of organic solvents in ground water and the resulting concern about cancer risk and overnight a new industry was formed. Also the sudden increase in interest in ground water caused by that discovery spawned a number of important improvements in the field methods. The concepts of water-quality sampling for example, changed overnight. Instead of worrying about ground water concentrations of parts per thousand of salt in coastal aquifers, we were suddenly concerned about concentrations of parts of per million of organic compounds that had never even heard of before. There was a similar revolution in the area of analysis. Until chlorinated organics compounds were found in ground water, there was practically no interest at all in studying groundwater transport. People were casually interested in water supplied being contaminated by salt water, but that was not the concern cancer-causing compound that exists today in most developed countries.

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During sixties one could count the number of groundwater professionals and whatever the number one came up with; there was one less available job. Those days practically every one of them was involved in water supply problems. And the tools of the trade were primitive by todays standards. Wells were usually percussion drill rigs and the only quantitative analysis was carried out involving analyzing water-level changes induced by a pumping test to obtain aquifer parameters.

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Modelling in Hydrogeology

The vast majority of research activities and field applications we see today are dedicated to ground water contamination problems. Chlorinated hydrocarbon contamination, in particular, is of enormous interest, whether in the aqueous phase or the non-aqueous phase. DNAPL (Dense Non-Aqueous Phase Liquids) contamination is probably the number one ground water contamination problem. Just twenty-five years ago, no one had any idea that such compounds even existed in the subsurface. There has not only been an evaluation in the kinds of problems that we are faced with, but there has also been a significant change in tools we use to address them. Thanks to research community, we now have many new techniques and technologies for tackling field problems.

Recent past has been witnessing the dowsing technology in locating ground water availability. Dowsing is the art of using a divining rod to locate water. Dowsing is also known as water witching. Although lacking scientific justification, water witches diligently follow the dictation of their divining rods wherever people can be persuaded of their potential value. As they dowse the cone on top of ground they can get water-availability and in some cases water quality measurements. A complete investigation of a site can be completed in a matter of hours rather than weeks. A recent research established that a good correlation exists between the blood groups of the dowsing persons and the success of the dowsing technology.

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It is to be noted that the advances made in the analysis and utilization of data is even more impressive than the technology itself. In earlier days the only way to forecast the impact of a new well on neighboring wells was to be of a simple and usually unrealistic geometry. Not only that, but also one had to assume the entire aquifer has uniform permeability, net infiltration and storativity. In early days it was also impossible to simulate unsaturated flow because the equations describing the system were non-linear. Of course, the idea of representing chemical or biological reactions was unheard of in those days. It is evident that a sea change in the field of groundwater hydrology in the next few years and the following are being envisaged. One is the convergence of two very strong forces. The other is that the agencies charged with defining and enforcing our environmental laws are re-examining the effectiveness of past practices and, having done so are in some sense, changing course. On the other hand, industries 6

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The quality of data provided to the groundwater professional has improved enormously too. The sample was not properly sealed and much of the contaminant of concern was permitted to escape before the samples even got to the laboratory. And boring logs were not nearly as carefully prepared as they are today. Not to mention that there was too little concern about the location of piezometers and well screens. Another problem that was not recognized early was the importance of accurate water-level measurements.

Modelling in Hydrogeology

strongly influenced by international competition, are reticent to invest scarce capital in activities that do not enhance short-term profits. Environmental protection and remediation programs do not generally improve short-term profits. The obvious net effect of the convergence of these two forces is a retreat from the aggressive program of groundwater contamination identification and remediation. Groundwater contamination problems, while constituting an enormous national problem, nevertheless exhibit the normal evolutionary sequence of youth, maturity, and well, death. While there are still a significant number of problems that have not been characterized, or even found for that matter, many have been characterized, evaluated and in some sense remediated.

In ground water management, a through understanding of the physical, chemical and biological processes in complex environment and their modeling are great challenges. Mathematical models provide a quantitative framework for analyzing data from monitoring and assess quantitatively responses of the ground water systems subjected to external stresses. Over the last four decades there has been a continuous improvement in the development of numerical ground water models. Earlier models concentrated on the analysis of flow behaviour in ground water systems where as the recent attempts aim at addressing the water quality problems and to simulate the transport contaminants in ground water. Even through there has been significant development in modeling tools and techniques, scientific challenges exist as the credibility of field level application of models has to be ascertained due to the existence of uncertainty in the conceptualization of the system like the boundary conditions, aquifer heterogeneity, natural recharge and others. Anderson (1995) provided a chronological time line of significant theoretical development representing the processes in groundwater systems, on the basis of which mathematical models are developed. All through 1990s there has been much research devoted to analysis of uncertainty in modeling both groundwater flow and transport of solutes using geostatisitcal concepts and stochastic methods (Dagan and Neuman, 1997). This will be the major thrust of research and challenge in the coming decades, especially when one has to ascertain the reliability of the modeling on a regional scale.

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Certainly there are gargantuan environmental and water supply challenges in developing countries lives. Just think of the impact that a solution to the soil salinization problem would have on society!. However, the countries that have the greatest environmental challenges do not necessarily have, or not willing to commit the resources necessary to address these problems. They may tend to depend on local professional rather than seek international expertise. If this is the case, there is a potential market internationally, but to be realized, it may be essential to involve local firms to gain access.

Modelling in Hydrogeology

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The requirements for regional groundwater model were outlined by Mann and Myers (1998) to develop technical and administrative requirements for selecting a computer code that will be used in the implementation of the comprehensive model. A brief discussion of the rationale is provided with each requirement. The review of future groundwater analyses that will be performed by any regional ground water model could cover a wide range of problems. The range of analyses include evaluations of current and near-term impacts of operations facilities and proposed waste-disposal facilities planning, design, and evaluation of remediation strategies, including monitoring, natural attenuation, hydraulic control/containment, and contaminant removal/cleanup long-term planning involving risk assessment and management assessment of cumulative environmental impacts.

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Regional groundwater models need to be developed meeting the important requirements on many aspects. These requirements were based on the review on groundwater modeling applications, as well as consideration of the future applications of the groundwater model. The requirements for the regional groundwater model address the key elements of the conceptual model of the aquifer system, anticipated future flow conditions, the types of contaminant transport, and the spatial and temporal scales of potential applications.

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Groundwater modeling softwares are now easily available. Also graphical user interface (GUI) processors for these models are available at reasonable cost. Many of these pre- and post-processors work with the popular computer code like MODFLOW, which has been extensively used for analyzing field problems. With these processing tools, the water resources professionals now find it easy to carry out the modeling work. Complex arrays of data can now be created quickly from external databases. Geostatistical routines embedded in GUI software facilitate automatic interpolation and extrapolation of scattered data. Input data and the model results can now be visualized for better perception and understanding. This in turn has lead to situations, mostly in developing countries, where overemphasis is given on the requirement of model study for resource evaluation and prediction wherein most of the cases, field data and information are not adequate for proper conceptualization of the system. It has come to a stage where the model application is carried out by the so-called modelers who do not need to have proper understanding of the basic operational function of the models. Unfortunately, this trend in modeling will have a serious consequence when the beneficiaries will start questioning the creditability of modeling as the fault lies not with the model itself but with the conceptualization of the physical system for model application.

Modelling in Hydrogeology

These technical considerations and limitations in the potential application of the regional groundwater model include a narrower, and perhaps more pragmatic list of potential groundwater-model uses that involve less disparate temporal and spatial scales and range of contaminants than may be considered in the potential range of groundwater analyses potential use of the groundwater model to support development of more specialized local scale models needed for some of the analyses linkages of the site-wide groundwater model to other analysis tools being used in these ranges of assessments and analyses.

4.1

This section outlines the requirements and associated rationale for any regional groundwater model. a. Major Hydro-geologic Units

b. Hydraulic Properties

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c. Transport Processes

Requirement. The regional groundwater model shall represent the spatial variability in hydraulic properties of the major hydro-geologic units that has been inferred from hydraulic tests performed in the aquifer system. Rationale. Transmissivity (the product of hydraulic conductivity and aquifer thickness) and storage information for the unconfined aquifer system obtained primarily from aquifer pumping tests need to be conducted at wells. Key features of this variability need to be considered to accurately represent past, present, and future groundwater flow and contaminant transport.

Requirement. The groundwater model shall be capable of simulating contaminant fluxes for a variety of chemical constituents in two or three dimensions as a function 9

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The regional groundwater model shall represent the major hydro-geologic units identified. The model shall also have the capability to represent the major sub-units identified including the low permeability units that will become more important as the water table drops in the unconfined aquifer system. Incorporation of the areal extent and thickness of the major hydro-geologic units identified in the conceptual model of aquifer are necessary to accurately simulate past, present, and future behavior of the groundwater flow and contaminant transport. As the water table drops, consideration of the areal extent and geometry of the fine-grained sub-units will be particularly important to understand the transport conditions.

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Model Requirements

Modelling in Hydrogeology

of driving hydrologic processes and mass-transport phenomena, including advection, hydrodynamic dispersion, adsorption, and radiological decay. Rationale. The ability to simulate transport of contaminants in the aquifer system is the main technical reason for the regional groundwater model. It is acknowledged by many researchers that the transport of some contaminants in close proximity to waste sources or at local scales are subject to more complex transport phenomena, and other processes for which the linear sorption isotherm approach is inadequate may be affecting contaminant mobility. These phenomena include reactive transport complexation pH controls volatilization occurrence of non-aqueous phase liquids Technical understanding and techniques for simulating these processes are still a matter of scientific inquiry. As understanding of the processes themselves and acceptance for techniques to model these processes grow, it is anticipated that the model may be enhanced to include these techniques. d. Hydrologic Boundaries

Rationale. Consideration of all major hydrologic boundaries is critical to address near-term and long-term predictions of groundwater flow and contaminant transport. e. Recharge

Requirement. The regional groundwater model shall consider all sources of significant recharge to the aquifer system including artificial recharge to the unconfined aquifer system from past and current operations natural recharge from direct infiltration of precipitation falling across recharge from runoff that infiltrate the aquifer

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Rationale. Artificial recharge to the aquifer system has and continues to have significant impact on water table conditions. As the transient effects of past artificial recharge to the aquifer dissipate, the effect of natural recharge on flow conditions in the aquifer will become more important. In addition to natural recharge from onsite infiltration, the aquifer receives recharge from infiltration of runoff and spring discharges originating in elevated regions offsite.

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Requirement. The regional groundwater model shall be capable of evaluating the near-term and long-term impacts of major lateral, upper, and lower hydrologic boundaries of the aquifer system.

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Requirement. The regional groundwater model shall be able to evaluate transient and steady state future flow conditions in the aquifer system. Rationale. The future pumping requirements for irrigation, domestic and industrial purposes need to be assessed and the utilization plans need to be evolved so that the sustained use of ground water is possible without any damage to the quality of ground water. Usually the prediction of conditions for next 50-100 years is adopted. g. Existing Chemical Contamination and Potential Future Transport

Rationale. Monitoring of groundwater across site may reveal presence of a number of contaminant plumes emanating from various operational areas. The extent of major chemical constituents at levels above the primary concentration limits in the aquifer system needs to be analyzed. h. Spatial and Temporal Scales of Analysis

Requirement. The regional groundwater model shall be able to support a variety of spatial and temporal scales of analysis to adequately meet project-specific needs. Rationale. Review of anticipated future applications of the site-wide groundwater model indicated that the model would need a variety of spatial and temporal scales of analysis to adequately meet project-specific needs. The distribution of hydrogeologic data and the nature of the specific problem to be solved are both controlling factors in determining the appropriate spatial and temporal scale for a groundwater flow and transport model. i. Configuration Control

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Requirement. The regional groundwater model, including the databases supporting the conceptual model and its numerical implementation, shall be maintained under configuration control. Rationale. Since the regional groundwater model will provide the framework for all groundwater modeling analysis performed on the site and a common site-wide groundwater model database will be maintained containing all the information necessary, needs to be maintained. Such a database will contain 11

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Requirement. The regional groundwater model shall be able to simulate contaminant transport of a variety of chemical constituents. The regional groundwater model shall also be able to evaluate potential future releases of chemical contaminants to the groundwater that may occur from a variety of waste sources.

Modelling in Hydrogeology

the basic geologic and hydrologic information that provides the basis for the conceptual model the key interpretations of geologic and hydrologic data and information, including descriptions of methods and approaches used to make interpretations.

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The regional groundwater model must be a flexible and evolving platform for analyzing groundwater flow and contaminant transport. As more data are collected, it is likely that the site-wide groundwater model must be a flexible and evolving platform for analyzing groundwater conceptual model of the groundwater system will change, and new predictive capabilities will be desired and available. The adopted model framework must be one in which new concepts can be tested and enhancements readily included. The data used in the site-wide groundwater model are stored in a geographic information system (GIS), which allows for easy data retrieval, display and update. Collections of raw data (measured data) will be described as databases, and interpretations will be described as information bases. The configuration control system should make optimal use of existing site resources. Much of the data in use can be linked to ARC-INFO, a GIS, which allows for easy data retrieval, display and update. Because data continue to be gathered and because newly gathered data do not always fit the existing conceptual model, a continuous effort is required to continually evaluate the data and refine the geologic and hydrogeologic conceptual models. Any modeling applications that make simplifications to the conceptual model and modeling database for use in their specific analyses should include adequate documentation to demonstrate the consistency of their modeling assessment with the accepted conceptual model. Such documentation may include a list of assumptions made, their justification, and comparisons with simulation results based on the most complete and complex conceptual model.

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The database and data interpretations will be updated, as new data, on both the local and regional scale, become available. The modeling database should be stored in a form independent of the computer code used or the assumptions made for a particular modeling study. By storing high resolution, regularly gridded information, it is possible to use the model information at different scales (e.g., in sub-models) or with different groundwater computer codes. This allows for use of the numerical representation and computer code that is most appropriate for simulating the problem being considered. The database should include all information necessary to develop parameter distributions based on geologic data (e.g., geometry of the main hydro-geologic units), hydraulic property estimates, boundary conditions, initial conditions, locations and volumes of sources and sinks, and natural recharge estimates.

Modelling in Hydrogeology

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Model Uncertainty

Requirement. The regional groundwater model will provide for explicit acknowledgement and estimation of uncertainty. A more specific requirement will be promulgated after additional evaluation of alternatives and methodologies for addressing uncertainty have been proposed and evaluated. Rationale. Ultimately, the regional groundwater model must embrace uncertainty. Implementation of an uncertainty framework with respect to the databases, model and code will require a long commitment of resources and model development. 5. CASE STUDIES

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Recharging ground water is of very great significance because it provides readymade storage reservoir free from evaporation and protected against pollution and because replenishing ground water resources keeps neighboring saline waters from intruding into the aquifers and helps prevent land subsidence in a depleted aquifer. It can also be used to reclaim wastewater. Rainwater harvesting can also be used for recharging ground water. The selection of the methods for artificial recharging depends upon the hydrological characteristics of aquifers; sediment contents in recharge waters, fluctuations in water levels and rates of recharge in relation to water levels. Since there is limited requisite data available there is a need for systematic investigations, research and development in this direction especially in the water deficit regions.

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A study was taken up by IIT Madras to study the effectiveness of percolation ponds in sustaining recharge of ground water. Two ponds one at Karthikeyapuram (at 4 Km from Tirutani) and another one at Santhana Venu Gopalapuram (at 15 Km from Tirutani) were selected for detailed field study. However performance of one pond, Santhana Venu Gopalapuram (SVG Puram) pond, is discussed below: This pond is in Pallipatu taluk of Chengalpattu district constructed during 1986 by the Tamil Nadu Agricultural Engineering Department. This pond is constructed across a nallah flowing from a mountain of an estimated catchments area of 100ha. Red soil is found in and around the pond with depth varying from 50 cm to six meters. In a reconnaissance survey conducted during the starting period of the project, only 16 wells were selected; as further detailed study was carried out, another 12 wells were added. Hence a total 28 wells were observed. The wells are

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Two recent studies carried out by IIT Madras, connected with ground water assessment and modeling are briefly discussed below.

Modelling in Hydrogeology

located at distances varying from 172 m to 840 m. the depths of wells vary from 7m to 16m. The pond has a capacity of 0.01 Mm3 spreading over an area of 4521 m2, the maximum pond depth is 2.3 m. There are three rain gauge stations located near by, one at Ramakrishnarajupet, 3 km from the pond, the second one at Pallipatu nearly 20 km and the third one at Sholingur 10 km from the pond. All these are maintained by the Revenue Department. The maximum rainfall occurs during the Northeast monsoon at an average of 500 mm to annual average of 1000mm. The maximum number of fillings that occurred during the study period is 3 per year. The study shows that the potential infiltration rate is of 190mm/hour with basic infiltration rate of 60mm/hr. Under this pond, the cropping pattern is of two crops mainly paddy followed by groundnut. Also flower plants are nursed, mainly (Lilly). During the filed study, it was found that due to availability of sufficient water some farmers are switching over to sugarcane also. To assess the efficiency of the existing percolation pond systems two mathematical models, namely lumped model and distributed models were developed. The zone of influence is an ideal choice for defining the control volume. In the case of the percolation pond, this control volume is strictly a deformable one, in the sense that the zone of influence is a variable in space and time. In this study five different approaches were adopted to delineate the zone of influence, both spatially and temporally. They are based on (I) water level variations (temporal), (ii) water level contours (spatial), (iii) water level profile (spatial), (iv) conductivity fluctuation (temporal) and (v) conductivity contours (spatial). A water balance study was also carried out with the pond and without the pond effect, a gross additional quantity of water to the extent of three fold to four fold increase in the pump age is estimated as realized due to the presence of the pond. The two percolation ponds investigated indicate that they are contributing substantially by augmentation of the sub-surface water availability. The zone of influence can be substantially different from a regular geometry such as a sector of a circle. In Santhana Venu Gopalapuram (SVG Puram) the zone of influence is 800m from the pond out of which 400m lengths is strongly influenced. The wells closer in the range of 400 to 500m get substantial contribution. b. Modelling of salt water Intrusion

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In the urban and agricultural areas bordering the seas, the coastal aquifers prove to be an important source of groundwater resource. It is seen that seawater is he most common pollutant of freshwater in coastal aquifers. Seawater intrusion in freshwater aquifers generally results from the activities of man. If groundwater withdrawal is moderate, no problems should arise. But once the groundwater is excessively withdrawn, the quality of the water may deteriorate, dictating expensive remedies unless proper management is considered. 14

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One of the goals of coastal aquifer management is to maximize freshwater extraction without causing the invasion of saltwater into the wells. A number of management questions can be asked during such considerations. For existing wells, how should the pumping rate be apportioned so as to achieve the maximum total extraction? For new wells, where should they be located? How can recharge wells and canals be effectively used to protect pumping wells? How can we maximize the recovery percentage of recharged water? These and other questions may be answered using the mathematical tool of optimization. Coastal aquifers that have their end boundaries in contact with sea or other saltwater bodies often get intruded by saltwater, as a result of over exploration, and due to their various other activities of human beings. The main objective of the present study is to evaluate the saltwater intrusion in the south Chennai Aquifer system, Tamilnadu, India. The main reason for the intrusion in this aquifer is due to over exploration of groundwater to meet various demands. The area is characterized by an unconfined aquifer. The water table contour reveals the zero M.S.L line gradually shifting inland during the successive years from 1996. There also exists a reverse hydraulic gradient in certain areas. The seawater intrusion is assessed by studying the water table contours and the water level fluctuation plots. These plots indicate that there is a gradual reduction on water table in all the wells studied during successive years. The seawater intrusion in the area is also validated by the chemical analysis of the groundwater. The exact location of the interface in the study area is determined with the help of an existing numerical model, namely SHARP. It was observed that there is a heavy extraction of groundwater in the study area by various agencies. It is also seen that the aquifer gets replenished to some extent immediately after the monsoon. A detailed analysis of the water balance in the study area was also carried out. The subsurface outflows are calculated for various cross sections and the rate intrusion with pumping was assessed. The study clearly reveals that there should not be any increase in pumping from the aquifer. 6. FINAL REMARKS

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There is some good news!. Population growth is slowing. Alternative and less expensive sources of energy may reduce the cost of desalination. Advances in biotechnology will soon make it possible to grow food crops using less water. Evolving systems of governance may allow stakeholders greater influence over the choice of investments. The important role of women in water management is recognized and widely accepted. Remote sensing satellites and global communications will help locate water and track rainfall for optimum use.

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The same technology will encourage sharing of best practices and has the potential for creasing solidarity around proposed solutions. Among water experts there is a growing recognition that a business as usual approach to managing this most precious resources is no longer tenable. Indeed, the so-called Dublin-Rio Principles reflect a sea change in the way we seek to mange water. There are also widespread calls for new water ethic. Not enough is known about the dynamics of water demand and supply to make long-term decisions. How will economic, social, demographic and scientific forces come together to affect water and what policies and investments should be fashioned in response. In seeking answers to these questions we must also grapple with another, fundamental, query. That is, what kind of future do we want? As Glieck states in his recent book on water (Glieck, 1998)

It may also be noted that the development of groundwater models provided tools for integrating al the available data together and for evaluation of the response of the physical system when subjected to changes in conditions and external stresses. However, it has to be realized that the hydrologist, hydro geologist or geohydrologist has to work with a very heterogeneous and anisotropic system at the filed scale. REFERENCES

Anderson, M.P., (1995), "Groundwater modeling in the 21st Century, Groundwater Models for Resources Analysis and management" Aly I.EL-Kadi, Ed., Lewis Publishers, London, pp. 79-93.

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Dagan, G. and S.P. Neuman, (1997). "Subsurface Flow and Transport": A Stochastic Approach Cambridge Univ. Press. Dowdeswell, E. (1998). "where peaceful water flow" water International, 23 (1998), 13-16.

Glieck, P. (1998). Moving toward a sustainable vision for the Earths fresh water. In Gleick, The worlds water: 1998:1999. Washington Dc: Island Press. Todd, D.K. (1995). "Groundwater Hydrology," 2nd edition, John Wiley and Sons, Singapore. Mann, F. M. and D. A. Myers. (1998). "Computer Code Selection Criteria for Flow and Transport Code(s) to be used in Undisturbed Vadose Zone Calculations for TWRS Environmental Analyses". (HNF-1839,Rev. B). Lockheed-Martin Hanford Company, Richland, Washington.

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Many different dreams and visions can be described. Without some positive vision, without some thought about truly sustainable water use means, society risks continuing on a path that will take us further and further in the wrong direction. We can choose a different path and try to define and attain a different future. But we must make that choice soon.

Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.17-24

A. Balasubramanian

Groundwater models are mathematical and digital tools of analysing and predicting the behavior of aquifer systems on local and regional scale, under varying geological environments. Groundwater modelling has also become a widely used environmental tool, since the development of digital computers and appropriate numerical models during 1960-1990's. These models solve the basic partial differential equations that govern the flow of groundwater and solute transport through the saturated and unsaturated porous medium. Models solve the equations analytically for simple geometric problems and applies numerical simulation to solve the equations of more complex hydrogeological problems involving aquifer heterogeneities, anisotropic aquifer properties and complicated boundary conditions. Many references describe the development of the governing equations and methods of solution in detail. Groundwater models are of several categories developed for specific purposes. Flow and solute transport problems vary in 2 or 3 dimensions. The solution strategies may adopt techniques like finite difference, finite element and integrated finite difference approaches. Models can handle single or multiple fluid properties. The development of a model requires the definition and manipulation of many physical parameters (e.g., aquifer characteristics) and time varying inflow and outflow data. The choice of a model determines the nature and quantity of the output information required. Groundwater modelling requires the following domain specific information: physical units, model domain hydrologic conditions, aquifer parameters , time varying inputs and boundary conditions. Detailed review of modelling approaches has been made by several workers. This paper reviews and highlights the applications of various groundwater models. Keywords : Mathematical models, Groundwater, Analytical, Numerical solutions. 17

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Abstract

Modelling in Hydrogeology

1.

INTRODUCTION

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Groundwater models are constructed using these parameters for solving many field problems, predicting the aquifers response to the imposed stress or strain, and for evolving the appropriate water management strategies. The perfect analysis of an aquifer environment and its processes depend on one of the following four aspects and the method of modelling: 1. Analysis pertaining to groundwater occurrence and flow, sources of recharge - discharge and their impacts( Single phase or multi-phase; steady or transient groundwater flow models) 2. Analysis of the dispersal, mobility and distribution of solutes( contaminants) in the groundwater systems( Chemical mass or solute; steady or transient transport models) 3. Analysis of the mechanisms of rock-water geochemical interactions controlling the distribution of solute species( Aqueous geochemical models) and the Analysis of salinity intrusions in the complex coastal ecosystems(saltwater intrusion ; steady or transient; sharp or dispersed interface models). Each one of these, require careful application of unique numerical principles, typical databases and complicated solution strategies. Despite the limitations, attempts have been made so far by several eminent workers in using the mathematical models for various field and laboratory applications. This paper presents an overview of the groundwater flow models and their applications. 1.1 State of the art of modelling: Mathematical modelling involves four basic steps namely (i) formulation, (ii) approximation and transformation (iii) computation and (iv) application.

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The quantitative occurrence, flow and qualitative availability of groundwater resources in different aquifer systems( coastal, hard-rock, arid, semi-arid,etc) are controlled by the local or regional physiographic, hydrological and subsurface geological conditions and man-made influences over the aquifers. Aquifer parameters and quantities of recharge and discharge play a significant role in groundwater resources evaluation and development. Most of these parameters vary with reference to space and time. The flow and occurrence of groundwater are governed by several numerical principles and site-specific hydrogeology. Mathematical models are based on the real hydrogeologic properties of the idealised aquifer. Groundwater models are mathematical and digital tools of analysing and predicting the behavior of aquifer systems on local and regional scale, under varying geological environments. Groundwater modelling has also become a widely used environmental tool, since the development of digital computers and appropriate numerical models during 1960-1990's.

Modelling in Hydrogeology Formulation: Formulation refers to the process of deriving or selecting the basic equation (s) governing the flow and solute transport of groundwater, with the domain specification and initial boundary conditions. Approximation: Approximation refers to the selection of a numerical method which can be used to solve the system of algebraic equations. Finite Difference, Finite element and Integrated Finite difference (IFD), methods are the widely used solution strategies for modelling the groundwater systems. Computation: Computation is the most important step in the process of modelling. This part refers to the process of obtaining a solution to a large number of differential equations. This is done using a digital computer and a method of coding the steps, in a computer programming language. Application: The application part of groundwater modelling includes calibration or history matching of the observed and simulated heads, sensitivity analysis and prediction, sensitivity tests are to show how the model reacts to various extreme values of transmissivity, storage coefficient and recharge/discharge volumes. 1.2 Groundwater flow models:

It has been understood that the occurrence and flow of groundwater in a nonhomogeneous anisotropic aquifer system can be represented by the following partial difference equations, applicable for two-or three- dimensions(x,y &z):

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Two-dimensional case: Three-dimensional case: where

d (Tx - dh) + d (Ty dh) + d (Tz dh) = S dh + w(x,y,z, t) dx dx dy dy dz dz dy Tx , Ty and Tz = Transmissivity tensors in X , Y and Z co ordinates (L2/T) S = Approximate storage Coefficient h = Hydraulic head t = time increments and w = fraction of recharge or discharge (L/T) with reference to space and time 19

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Walton (1962) presented the analytical methods of aquifer evaluation which formed the basis for all the later orientations towards the numerical approaches. Prickett (1975) gave a comprehensive outlook on the modelling techniques for groundwater evaluation by properly explaining the equations of flow, given an overview of the types of analog and numerical models used prior to 1975 .

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Modelling in Hydrogeology

These equations can not be solved directly. They can be solved through finite difference or finite element approaches. Rushton and Redshaw (1979) explains the solution strategies of solving these equations in two dimensions. 2. DATA REQUIREMENTS FOR MODELLING

There are several aquifer parameters which are of much use in modelling studies. Groundwater modelling requires the basic information pertaining to physical units, model domain, aquifer parameters, time varying inputs, and boundary conditions. The sets of hydrogeological data required for any type of modelling are: a. Geomorphology- Topography - (Watershed/Basin/District/block ) Basin Boundary Drainage - River Course, Canals (Lined/Unlined) Channel Morphology Surface Water Bodies - Reservoirs - Rainfed Tanks/ Ponds/Cess Pools / Lakes / Estuaries / Impoundments / Landuse/Land Cover/Soil/Vegetation/Developmental Features b. Hydrometeorology -- Rainfall - Pattern - Point measurements - Long term Records - (Polygon / Isohyets) -Specified intervals/ Evapotranspiration - Point measurements - Areal distribution - Surface Runoff - Volumes - Specified intervals Soil thickness - Types - Moisture Point measurements - Infiltration rate of Soils - Point measurements c. Hydrogeology-- Geology and structures - boundaries - variations - Aquifer types boundaries/geometry weathered / fractured / lateritic / volcanic / alluvial /coastal/ Aquifer thickness - areal distribution - depth to the basement (bedrock)/ Distribution of deep/shallow fractures/ Water table elevation - long term records closed network Aquifer parameters - point measurements - areal distribution - / (transmissivity (sp.yield) Confining/leaky layers - physical frame work and characteristics/ Source of seepage/recharge - flow rates (irrigated open areas Location of recharge basins/wells/ Sinks - location of wells - pumping rates/ shedules - spatial and time variant data d. Others-- Consumption Pattern - Changes In Space/Time / Environmental Factors - Quality 3. APPLICATIONS

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Groundwater flow models can provide valuable directions in solving specific problems like: Groundwater balance estimation- assessment of regional inflow and outflow patterns of groundwater , surface waters within and from neighboring reservoirs Well withdrawals-prediction of effects of groundwater withdrawals over the piezometric head levels and stream flow discharge; assessment of safe 20

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Modelling in Hydrogeology yield; prediction and movement of saline water interface; prediction of effects of scattered groundwater withdrawal for irrigation; Changes in aquifer recharge- prediction of effects of urbanization; prediction of changes resulting from irrigation return f low and canal leakage; analysis of long-term climatologically related trends in piezometric levels and separation of man induced changes. Parameter estimation- determination of regional distribution of the hydraulic parameters (inverse modelling). Planning of field investigations- rationalization of data collection requirements by identifying the measurements most needed Prediction of seepage velocities for subsequent use in transports modelling.

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GEOCHEMICAL MODELLING

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Geochemical modelling attempts to interpret and predict the chemical reactions of minerals, gases and organic matter with aqueous solutions in real or hypothetical water-rock systems have been attempted by many. It can also help to identify geochemical processes that regulate the concentration of dissolved constituents and may help to quantify the effects of temperature, speciation, sorption and solubility on the concentrations of dissolved constituents. Geochemical models can be utilized in sensitivity analysis mode to assist in assigning priorities among additional chemical characterizations of water from field to laboratory studies. The approach includes the calculation of the degree of saturation of an aqueous media with regard to both meta stable and equilibrium solids. The advent of digital computers allowed the development of a lot of sophisticated geochemical models for describing and predicting the chemical behaviour of complex natural waters. More than 50 such models have been developed and are available in literature. Much of the impetus for the development of geochemical computer models comes from the need to protect the chemical quality of groundwater, and from a search for safe methods of geologic disposal of nuclear wastes. SIMULATION OF SALTWATER ENCROACHMENT IN COASTAL AQUIFERS

Coastal aquifers are an important resource for urban and agricultural development in areas bordering seas and oceans. Coastal hydrogeological conditions can be simply represented by an unconfined, island or confined aquifer. In coastal zones, freshwater body will overlie the saltwater body because the unit weight of freshwater (1 gm/ml) is less than that of saltwater (1.022 to 1.031 gm/ml). The boundary surface between the two types of water is known as the saltwaterfreshwater interface or the interface. The hydrodynamic balance of the fluids 21

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Groundwater management- estimation of optimal yield of basins for the development of groundwater resources using the concepts of conjunctive and consumptive usage.

Modelling in Hydrogeology

governs the shape and movement of the interface. If the coastal zone consists of two or more distinct layers, each aquifer will have an independent interface. Successful investigations have enabled the control of this hydrodynamic balance. The transition from fresh to saltwater is not a sharp one due to the effects of mechanical dispersion. Cooper (1959) and Kohout (1964) have shown that in the zone of mixing, the diluted seawater is less dense than the original seawater, causing it to rise and move seaward along this interface. This involves a cyclic flow of saltwater from the sea through the ocean floor, to the zone of mixing and back to the sea. This cyclic flow occurs even under steady-state conditions. Due to pumping of fresh groundwater, the natural equilibrium is disturbed and the saltwater moves inland until a new equilibrium is established. Conversely, an increase in freshwater flow pushes the interface seaward. The location, shape and extent of the diffused zone depend upon several factors including (1) the relative densities of fresh and saltwater, (2) the rate of discharge of groundwater, and (3) the dispersion and hydraulic parameters of the aquifer. An integrated study involving geophysical and hydrogeochemical techniques can give a clear picture about the spatial disposition of the two zones. A systematic hydrogeological study can show the movement of this interface in space and time. 6. MATHEMATICAL MODELS

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Mathematical models are an attempt to represent certain processes by mathematical equations. In the case of contaminant transport, a number of diverse and complicated processes like advection, diffusion and dispersion are involved. Various numerical models have been used in the past to predict the location of the saltwater interface for a given set of hydrologic conditions. These models, depending upon the way they treat the interface, are broadly classified into 2 types, namely sharp (abrupt) interface models and diffuse (disperse) interface models. The common solution strategies adopted in these models are finite-difference, finiteelement, and boundary integral methods, using either Ghyben-Herzberg principle or Dupuit approximation.

The diffuse interface approach explicitly represents the transition zone, where there is mixing of freshwater and saltwater due to the effects of hydrodynamic dispersion (molecular diffusion and mechanical dispersion). The sharp interface approach simplifies the analysis by assuming that freshwater and saltwater do not mix and are represented by an abrupt interface. Both approaches have been used to develop numerical models to study and predict the flow of groundwater in coastal aquifers. These type of models consider two fluid or only the saltwater. Further the models can also be based on dispersed interface approaches. Seawater intrusion models can also be classified as non-density dependent and density dependent models.

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Each of these approaches has advantages and limitations and can be successfully employed only under appropriate conditions. The dispersed interface approach is necessary in areas where the transition zone is wide. Density effects can be neglected when chloride concentration gradients are low and the governing equations can be solved areally on a basin-wide scale. However, when the flow is density-dependent, the vertical dimension must be included. Volker and Rushton (1982) compared steady-state solutions for both the dispersed interface and sharp interface approaches and showed that as the coefficient of hydrodynamic dispersion decreases, the two solutions approach each other. Volker and Young (1979) compared the applications of boundary integral and finite-element methods for free surface flows in porous media, including the saltwater intrusion in aquifers. The choice of the approach used to model a particular system will depend on the nature of the system as well as the goals of the modelling effort. The sharp interface approach can represent the overall flow characteristics of the system, but does not give details concerning the nature of the transition zone. When studying an aquifer system, it is important first to understand its overall behaviour before examining smaller scale effects. Therefore, the ideal characterization of such systems may involve a two-step process integrating the sharp interface and dispersed interface modelling approaches. 8. CONCLUSION

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REFERENCES:

Modelling is a digital tool used for predictive and management simulations of aquifer environments. Models are unique in their applications. All models have certain assumptions. This paper enumerates the simple and applicable models for various ecosystems. The database requirement is also highlighted. Due to enormous number of references (more than the pages of this paper), the reader is requested to contact the author for the detailed bibliography.

Prickett, T.A. (1975), "Modelling techniques for groundwater evaluation", In Advances in hydroscience, Vol.10 ed., V.T. Chow, New York : Academic press. Walton, W.C (1962), "Groundwater Resources Evaluation". Mcgraw-Hill, New York. Rushton.K.R and Redshaw.S.C (1979). Seepage and groundwater flow. John Wiley and Sons Ltd. NY 330 pp. Cooper, H. H. Jr., 1959. "A hypothesis concerning the dynamic balance of freshwater and saltwater in a coastal aquifer:" Journal of Geophysics Research, v. 64, no. 4, p. 461-467.

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Volker, R.E. and K.R. Rushton, 1982. "An assessment of the importance of someparameters for seawater intrusion in aquifers and a comparison of dispersive and sharpinterface modelling approaches:" Journal of Hydrology, v. 56, p. 239 250. Kohout, F.A., 1964, "The flow of freshwater and salt water in the Biscayneaquifer of the Miami area," Florida:U.S. Geological Survey Water-SupplyPaper 1613C, p. C12C32.

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.25-38

Artificial Recharging of Ground Water Aquifers and Groundwater Modelling in the Context of Basin Water Management

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1. INTRODUCTION

Ground water as a source of supply for meeting the rapidly expanding urban, industrial and agricultural water requirements has received a major boost in its development and utilization in the recent past, creating some negative externalities such as rapid ground water decline. This rapid depletion of ground water has given rise to artificial recharging of ground water aquifers, which has off-site implications in the basin context. This paper describes different types of recharges, provides a classification of several ground water recharge estimation techniques, argues the need for ground water recharge estimation and modelling in the basin context and discusses three types of simple models used for ground water estimation and managing the ground water aquifers. The importance of simple and cost-effective models for practicing professionals and the need for reliable database for modelling exercise are highlighted. Keywords : Artificial recharging, Groundwater, groundwater models.

One third of worlds land surface has been classified as arid or semi-arid. Approximately half the countries of globe are directly affected in someway by problems of aridity. Easily developed land and water resources have in large measures already been developed and attention is thus increasingly towards more arid region for human survival. However, soil and water resources of arid and semiarid regions are limited, often being in a delicate environmental balance. Surface water supplies are normally critically unreliable, poorly distributed and subject to high evaporation losses. For the rapidly expanding urban, industrial and agricultural water requirements, ground water has assumed greater significance.

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Abstract

R. Sakthivadivel

Modelling in Hydrogeology

Ground water as a source of supply for meeting the above needs has received a major boost in the recent past as ground water development schemes require low investments, have a short gestation period, and the resource is directly under the control of users. Moreover, ground water development has been phenomenal especially after the advent of electrical and diesel abstraction machines. The two most populous countries:China and India are facing a huge water crisis and are over exploiting their ground water resources. In China, according to historical records, during 1950s and 1960s, Fuyang river in Hebei province was an important shipping channel. In contrast, from 1990 onwards, the river had over 300 dry days annually. The outflow from the basin dramatically decreased from the late 1970s to less than 100 Mm3 of annual flow with no outflow in 1997. The basin has become a closed basin for all practical purposes

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In Fuyang, ground water accounts for 80 percent of supply. As a conscious allocation decision, water managers of Fuyang have allowed cities and industries first priority on reservoir water, and hence supported farmers in their efforts to tap ground water. Ground water overdraft led to a dramatic drop of ground water level, especially in the recent two decades. The ground water table dropped at a rate of 0.68m/ year for the county located at the upstream and at a rate exceeding 1m/year for the middle and downstream counties.

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Fig. 1: Variations of discharge measured at Aixinzhuang Hydrology Station from 1957 to 1998 26

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Modelling in Hydrogeology

Fig. 2: Variations of groundwater depth from the surface, 1980 to 1998, Jiuzhou Station, Renxian County, Hebei Province In India, there are about 10 million tube wells in the country, which were only a few thousand in 1961-62. With the increasing number of wells, the consumption of electricity by these abstraction devices also increased. In 1994-95, consumption of electricity in agricultural sector was 30.54 percent of total electricity consumption amounting to 79300 GWH, which was mostly consumed by 10.72 million electric pump sets. Similarly, billions of liters of diesel oil per year are consumed by diesel pump sets installed for lifting water through tube wells. In its development stride with focus on irrigated agriculture using ground water, India has successfully staged a comeback from a country at the verge of famine in 1950s to that of a food self sufficient one in the 90s with a proviso even to export some food grains to other countries. These gains have mainly come from increasing the irrigated area from 22.6 m.ha in 1951 to about 90 m.ha in 1995-96 with more than 60 percent increase in irrigated area from unorganized groundwater development by private sector. While ground water development has increased the productivity of land by as much as 200 percent or more from that of surface water irrigation, it has also brought with it some negative externalities such as rapid ground water decline, increase in pumping cost and deterioration of ground water quality. The alarming rate of ground water decline (1 to 2 m per year) in pockets of north western, western and southern regions of the country and its impact on agricultural productivity and profitability has sounded an alarming bell for policy makers and stakeholders to reappraise the ground water development and management. While the Government has recognized the importance of ground water development for increasing the agricultural production to meet the challenging demand for food for burgeoning population in the next two to three decades, its focus on managing the ground water resources in a sustainable way has not been commensurate with the gravity of problems that India faces at this moment.

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While this is the situation at government and policy making level, there is plethora of activities going on at the local levels with respect to rainwater harvesting and recharging the aquifers. In States such as Gujarat, Rajasthan and Madhya Pradesh , after the recent droughts in 1999 and 2000, there are increased level of water harvesting and recharging activities where the government is also trying to provide assistance to carry out these activities. A quick survey of these activities indicates: Water harvesting at village level or at micro-watershed level seems to be sporadic activity not coordinated well at the watershed level; People based on their perception and understanding have implemented these activities without much of integrated planning and coordination; These unplanned development have lead to interference among structures, resulted in costly harnessing structures and conflict among stakeholders; No guidelines exist for systematic planning, investigation, selection of structures, minimization of cost of construction, operation and maintenance, monitoring and conflict resolution. Water harvesting has been considered as a separate activity without much relation to watershed level resource development and management and without much consideration to off-site impacts.

How much of water harvested gets recharged and percentage of it is extracted out? What is the productivity of extracted water? When a farmer recharges through a well, how does a free rider prevented from using that water? What type of water harvesting and recharge structures is used at a village level? Are these patterns same or are they differ? If differs why? What kind of organization at village level exists for implementation and monitoring of these activities? What kind of modelling efforts are attempted to develop strategies and policies for recharge activities? What are the key characteristics which prompt individual farmers or group of farmers to undertake water harnessing activities? How do they decide about location, type of structure, method of construction and operation and cost sharing? What kind of planning and technical considerations go into it before construction and operation? Who are the people really benefited by installing these structures? How are poor, landless and women are affected/benefited by water harvesting activities?

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In the present scenario of haphazard development of recharge structures a number of questions such as the following remain unanswered:

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Modelling in Hydrogeology

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Groundwater recharge may be defined in a general sense as the downward flow of water reaching the water table, forming an addition to the ground water reservoir. Recharge of ground water may occur naturally from precipitation, rivers, canals, drains and lakes and as man-induced phenomenon via such activities as irrigation and pumping regulations. Three basic types of recharge are recognized, categorized here (Figure 3: Schematic Diagram of the hydrological Processes involved in Runoff, natural, indirect and artificial recharges and its conjunctive management) as direct, indirect, and maninduced (artificial): Direct recharge is defined as water added to the ground water reservoir in excess of soil moisture deficit and evapotranspiration, by direct vertical percolation of precipitation through the unsaturated zone. Indirect recharge results from percolation to the water table following runoff, flood out and localization in ponding in low lying areas or through the beds of water courses. Man induced recharge is the percolation of water conserved from rainfall or transported through ponding, spreading such as irrigation ,and injecting through tube wells etc.,This is also called artificial recharge.

A major difficulty in arid areas is that although basic recharge mechanisms are reasonably well known, deficiencies are evident in quantifying the various elements. Although direct recharge is known to be of decreasing significance with increasing aridity, the processes involved are conceptually the easiest to define and form the basis of numerous recharge estimation techniques currently in common use. Assuming a dominate vertical moisture flux ,a single porous medium and a water table which is not close to the surface, water is postulated to move by Darcian flow in the unsaturated zone to the ground water body. However, field experiments show that volumetric water content and flow mechanisms in the unsaturated zone vary in a complex manner, the main problem being that the parameters, moisture content, matrix potential, and hydraulic conductivity are sensitively interrelated. Further, material in the unsaturated zone rarely displays homogeneous properties, often consisting of layered sands, silt, and clays with widely varying saturated hydraulic conductivities, and a strong potential for lateral rather than vertical flow above lithological discontinuities. In short, quantification of ground water recharge is fraught with problems of varying magnitude and hence substantial uncertainties. Variations in ground water recharge with time and in space (both laterally and vertically) are well documented and are consequences of such factors as differing precipitation, soil characteristics, vegetation, land use and topography.

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NATURAL RECHARGE Water transported for rech. Ponding recharge Surface water storage Spreading recharge

INDIRECT RECHARGE

ARTIFICIAL RECHARGE

Precipitation

Interception

Overland flow

PpomSo

Stream flow

Transmission losses & flood out

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Percolation Groundwater Sheet-runoff Localized ponding

Soil water

Interflow

Percolation

Vertical infiltration oints & crackflow

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Balance stream flow Lateral and vertical infiltration Downstream impact Vertical infiltration

GW institution

Ground Water

Baseflow

GW monitori ng

Indirect recharge

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Increasing productivity of water

Indirect recharge

Sustaini ng GW regime

Schematic Diagram of the hydrological Processes involved in Runoff, natural, indirect and artificial recharges and its conjunctive management

Modelling in Hydrogeology

Given the variability, the obviously interrelated question is what techniques should be used to derive reliable recharge estimates. Table 1 gives classification of several ground water recharge estimation techniques according to result resolution in time and space: Estimation Technique A) Point recharge value -direct measurement (Lysimeter) -soil moisture balance -Darcian models (unsaturated) -Tracers in unsaturated zone B) Areally Integrated net Recharge values -Ground water chloride balance -Ground water Flow Equation -Ground water Fluctuation -Spring Discharge -Hydrograph Separation -Catchment Water balance -Conceptual Catchment Models Instata neous Event Time Scale Mon Seasonal thly Annual Long term averages

x x x x

x x x x

x x x x

x x x x

x x x x x x x

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x x x x x x x x x x x 31

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Water scarcity in many countries has become endemic. Many river basins are becoming closed or closing* In such basins, additional water conservation at upstream point affects the downstream people who are already using that water. The off site effect of water conservation has both economic and environmental consequences in

*In open basins, more water could be developed and beneficially depleted upstream without diminishing existing uses: in other words, the opportunity cost of additional depletion is zero. A closing basin has no more remaining available water flowing out of the basin during part of the year, typically a dry season. In a completely closed basin, all water is committed to environmental and process uses.

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x x x x x x x x x x x x

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Modelling in Hydrogeology

addition to hydrologic impacts. Therefore, any water conservation such as artificial recharge should be viewed in the basin context In this case regional model such as basin models play a significant role in guiding the policy makers where to encourage ground water recharging and where to prevent going for artificial recharging which will affect the downstream people. Haphazard development of recharging that is going on in many states in India will bring in large conflicts between upstream and downstream stakeholders. Clear water rights are to be put in place, enforced and monitored Hydro-economic conjunctive management models will play a crucial role in the years to come in better managing the river basins. 5. GROUND WATER MODELS

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Fig. 4: Schematic Diagram of the hydrological Processes involved in Runoff, natural, indirect and artificial recharges and its conjunctive management B+DS=P-Ea- I- Ro-Ri Where P= rainfall (mm), Ea= actual evapotranspiration (mm), I= interception loss (mm), 32

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In this section, I will present the following three types of models currently developed and used for estimating ground water recharge and managing the aquifer systems: 1. Ground water balance model, 2. Ground water chloride balance model, and 3. Finite difference ground water simulation model. A spatially distributed water balance model that can be used to estimate the time series and spatial distribution of ground water recharge in semi-arid conditions, developed by the Institute of Water Studies, Wallingford, U.K. is presented (Finch,1999). Water balance models have the following advantages: They use readily available meteorological data as the primary source of data. They are capable of providing arieal estimates. They are capable of predicting the impact of change, e.g., of land cover. The main potential disadvantage of these models is that they rely on mass balance and so the recharge estimate is a result of subtracting all other losses of water from the rainfall with the result that errors tend to accumulate into the estimates of recharge. Direct Recharge is calculated using a simple daily water balance equation

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Modelling in Hydrogeology

Ro= surface runoff (mm), Ri= interflow (mm), B= bypass flow (mm), DS= change in soil water content (mm). Recharge is the sum of the bypass flow and positive values of the changes in soil water content, once the soil water content exceeds the water content of the soil at which drainage can occur ( field capacity). The model consists of several sub models dealing with interception, overland flow, interflow, evaporation from vegetation and soil, soil moisture and transfer through the unsaturated zone The model uses a 2- dimensional rectangular grid of cells to represent the spatial variability of the land surface and is best used for conditions where vertical drainage is dominant over horizontal processes in the soils.

RUNOFF

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INTERFLOW

SOIL STORE BYPASS SOIL MOISTURE 33

RECHARGE Fig. 5: Schematic representation of the sub-models forming the water balance model

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RAINFALL

CANOPY INCEPTION

OVERLAND FLOW

EVAPORATION

SOILVEGETATION

EVAPORATION

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Modelling in Hydrogeology

The minimum data required by the model are: 1. Time series of rainfall from rain gauges. 2. Time series of meteorological data from weather stations. 3. A map of aquifer outcrop areas. 4. A map of the soil types. 5. A map of the land cover classes. 6. A topogarphical map Additional data that will improve the accuracy of the model predictions are: -measurement of the soil hydraulic properties, -measurements of the land cover physical properties, -measurements of the aquifer unsaturated zone response function.

Table 2: Annual Water Balance Predicted by the Model Rainfall Potential Actual Recharge(mm) (mm) Evaporation(mm) Evaporation(mm) 706 545 650 633 1754 1843 1770 1789 614 554 583 584 89 0 61 50

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Fig. 6: Observed and modelled soil water contents for Niger 34

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The model was tested at the site of HAPEX-SAHEL experiment (13-o14.63N: 2-o 14.65E) in Niger.The area has not been cropped sine 1986 allowing the natural savannah vegetation to regenerate. Soils at the site are very sandy, approximately 2 to 3 m deep and underlain by a hard laterite. The water table is at a depth of approximately 32 m. Table 2 gives the annual water balance predicted by the model.

Modelling in Hydrogeology

5.1 Ground Water Chloride Balance Model Physical approaches have traditionally been more widely used than tracer techniques. In semi-arid regions, however, there is acceptance of the limitations of the physical approaches and tracer techniques are becoming more widely used. Of the three possible tracer methods( tritium, stable isotopes, and chloride) the use of chloride proves especially attractive as a low cost tracer for recharge estimation. For a catchment area the most basic approach for using cl is through the water balance equation: P=E+R+Q Where P= precipitation amount, E= evaporation, R= recharge to ground water Q= runoff to stream.

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Aquifer Effective rainfall (mm) 548 390 Melanocratic Leucocratic

for Romwe catchment in Zimbabwe (MacDonald,1999). This gives the total deposition of chloride for each of the three seasons in which samples were taken. The rainfall chloride concentrations in three years are: 0.78; 1.39; and 0.68 mg/l respectively, giving an averaged chloride concentration in rainfall of 1mg/l over the season. To calculate the mass of chloride entering the ground, we must know the effective rainfall (rainfall-surface runoff) and the spatially averaged ground water concentration. Then using Equation (1),we can compute the mean ground water recharge. The mean ground water recharge computed for the Romwe catchment in Zimbabwe is shown in Table 3. Table 3: Calculation of ground water Recharge in the Romwe Catchment Mass chloride entering ground (mg) 548 390 Ave.Ground chloride concentration (mg/l). 19 68 Mean Ground water Recharge(mm) 29 6

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If we assume cl is neither gained nor lost via weathering, and that anthropogenic inputs are zero, we can include cl concentration in the above equation: P. cl pptn = E. cl evap + R.cl rec + Q.clroff Where Cl pptn= chloride concentration in precipitation Cl evap= chloride concentration in evaporation Cl rec = chloride concentration in recharge to ground water Cl roff = chloride concentration in run off Assuming no significant clroff removed via evapotranspiration and clroff is equal to clpptn, the above equation can be reduced to: R= ( P-Q)*(Cl pptn/Clrec) ----(1)

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Modelling in Hydrogeology

rainfall from a raingauge in the Romwe catchment for dry seasons 1993/94, 1994/95 and 1995/96 (missing data for the period February to April 1994 has been estimated using daily volume, chloride concentration rations for the rainfall from the rest of the 1994/95 wet season) 5.2 Finite Difference Ground Water Simulation Model

Ground water models are used to understand the behavior of ground water regimes and predict response of aquifer to any external changes such as extraction, recharge etc., The model can also be used to select the best management plan for a ground water basin. Dr Sondhi et al from Punjab Agricultural University, Ludhiana, have applied water balance analysis and finite difference ground water simulation models for falling and raising ground water regions of the state of Punjab to assess the ground water resources and plan the management strategies for its exploitation on sustainable basis.

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Digital simulation model developed by Pricket and Lonquist (1971) was used for ground water simulation and management. The impact of crop diversification on the ground water behavior was studied by shifting 5,10,20 and 30 percent paddy area with cotton, maize, and groundnut in the ratio of 3:1:1 respectively. It was found after reducing the paddy area the area under falling water table condition has diminished. The area under depth range of 10 to 15m diminished from 48% to 40 % when the paddy area was reduced to 30%. The authors have also developed an integrated simulation-optimization model by embedding finite difference form of linear algebraic equations of groundwater flow model (MODFLOW) as constraints in linear programming formulation for optimal management of ground water resources. The objective was to maximize pumpage over the whole tract and to study the impact of management alternatives on water

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table depth. The studies show that it is possible to arrest the rising trend of water table depth in south west Punjab by seasonal and inter-seasonal redistribution of canal water releases and enhancing the ground water pumpage by74% during karif and 135 percent during rabi from existing level. 6. CONCLUDING REMARKS

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ACKNOWLEDGEMENT REFERENCES:

Simple water balance models such as the ones referred in this paper are needed to estimate the basin recharge before we take up complicated regional level models to manage groundwater aquifers in the basin context. Such models would then bring out the on-site/off site impact of artificial recharging.

Apart of the work reported herein is carried out under IWMI-TATA program under project titled Groundwater Re-charge and Conjunctive Management in India.

Finch JW (1999) "Regional groundwater recharge assessment in semi-arid areas." DFID Report 99/6, Institute of Hydrology, U.K. MacDonald D, Edmunds WM, Moriarty P (1999) "The use of chloride balance method in weathered basement aquifers: A case study from Southern Zimbabwe." DFID 99/6, Institute of Hydrology, U.K.

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As models become sophisticated, the data requirement also increases. In many situations, we do not have adequate data making us to go for simple models. Selection of model to achieve an objective is an art by itself. Some time simple, and cost effective models would provide the necessary answer, avoiding the need to go for complicated models. Developing such simple and cost effective models require great skill and understanding of the problem being attempted to solve through modelling.

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Advent of fast computing techniques together with availability of large scale storage facilities in PCs, availability of less costly remote sensed data with acceptable resolution and shorter turnaround time, introduction of new tools such as Geographical Information System (GIS) and digital elevation model (DEM) and public domain data available through Internet have all helped to develop and use ground water models of complex and sophisticated nature having regional and global character. These developments augur a good sign to understand the regional and basin level variability of ground water situations. Once the global picture and trends are identified, then one can use a more refined methodology to track down the variables to acceptable level of accuracy at a local scale such as an irrigation system or sub-system level underlain with an aquifer.

Modelling in Hydrogeology

Sondhi SK, Kaushal MP, Aggarwal Rajan (2001) "Management of groundwater resources in Punjab." Proceedings of IWMI-ICAR workshop on groundwater research in India, Karnal, Haryana, India, 6-7 November 2001. Abernethy CL (2001) Inter sectoral management of river basin, International Water Management Institute (IWMI), Sri Lanka: Proceedings of an international workshop on Integrated water management in water-stressed river basins in developing countries: strategies for poverty alleviation and agricultural growth Loskop Dam, South Africa, 16-21 October.

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001,pp.39-57

Regionalization of Aquifer Parameters for Aquifer Modelling Including Monitoring Network Design

Shakeel Ahmed

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1. INTRODUCTION

The application of Ordinary Kriging including variography is presented by taking a case study on Fluoride concentration. In addition, multivariate geostatistical techniques viz., Cokriging, Kriging with an External Drift have found better applications and are described. It is concluded that, depending upon the situation, geostatistical techniques could be applied at each step of hydrogeological modelling studies i.e. from data collection network design, parameter estimation to the fabrication and calibration of aquifer models.

Key Words: Variography, Cross-validation, Cokriging, Kriging with an external drift, Aquifer Modelling, Transmissivity, Electrical Transverse Resistance, optimal network.

Numerical simulation of flow and transport processes in an aquifer necessitates, dividing and discretizing the natural heterogeneous system into a number of small parts called mesh supposed to be uniform with almost no variation of the aquifer properties. To satisfy this condition, it is necessary to discretize the system into much finer and hence more number of grids. Although with the availability of fast and strong computers, computation with large number of grids/mesh is not a problem but the data preparation that is to assign the aquifer parameters to each grid/mesh becomes cumbersome. Also an appropriate 39

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Appropriate and adequate data are essential for the success of any scientific study. Scarcity of data and their collection on isolated location particularly in the field of hydrology, makes it necessary to adopt special procedures such as geostatistical estimation technique for bridging the gap between field measurements and numerical aquifer modelling. However, these estimations are based on a crucial criterion of the structural analysis known as variography and obtaining a true and representative variogram is extremely ambiguous from limited field data. Cross-validation test to determine a representative and optimal variogram as well as to validate the other assumptions, has been found very useful in case of hydrogeological parameters.

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Abstract

Modelling in Hydrogeology

estimation procedure is required to provide an unbiased, minimum variance and with unique value over the entire area of the mesh. Geostatistical techniques in the form of "Theory of Regionalized Variables" were developed to be applied to mining problems (Matheron, 1963). But soon after, hydrogeologists have realized its applications to the groundwater hydrology and the first work was carried out by Delhomme (1974). Thereafter, number of studies have now been carried out on hydrogeological parameters. Subsequently works of Aboufirassi and Marino (1983), Neuman (1984), Hoeksema and Kitanidis (1984), Ahmed (1987), Dong (1990), Roth (1995) etc. have shown more applications of geostatistics in groundwater hydrology. However, multivariate and non-stationary geostatistics have got comparatively more applications in groundwater hydrology. Also some of them have to be suitably modified as well as some special procedures developed for a meaningful application of geostatistics in this field. Delhomme (1976) has developed the method of Kriging with Linear Regression, Kriging using erroneous data, Kriging in the presence of a fault etc. Conditional simulation has also been applied in aquifer modelling (Delhomme, 1979). Galli and Meunier (1987) and Ahmed (1987) have worked on Kriging with an External Drift. Ahmed and Marsily (1987) have compared a number of multivariate geostatistical methods in estimating transmissivity using data on transmissivity and specific capacity. Also Ahmed (1987) has developed a special antisymmetric and anisotropic crosscovariance between residuals of hydraulic head and transmissivity based on the work of Mizell (1980) and used coherent nature of various covariances to cokrige transmissivity and hydraulic head in solving an Inverse Problem (Ahmed and Marsily, 1993). Bardossy et !! schl (1995) have combined al. (1986), Ahmed et al. (1988) and Kupfersberger and Bl o electrical and hydraulic parameters in a geostatistical analysis. Geohydrological data are mostly scattered and often subjected to errors. At each step special procedures have therefore, to be adopted (Delhomme, 1976; !en, 1992 etc.). Now geostatistics has found applications in almost all domain of Hydrogeology from parameter estimation to predictive modelling for Groundwater Management e.g., designing an optimal groundwater monitoring network, estimating parameters at unmeasured locations, groundwater model fabrication (optimal discretization), unbiased model calibration using estimation errors and in deciding the best models for prediction. 2. VARIOGRAPHY OF A HYDROGEOLOGICAL PARAMETER

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The theoretical part of the geostatistical techniques have already been dealt with earlier workers e.g., Matheron, (1971), Journel and Huijbregts (1978), Marsily (1986), Isaaks and Srivastava (1989), Samper and Carrera (1990), Deutch and Journal (1992), Wackernagel (1995) etc. Most of the hydrogeological parameters are defined and measured at points in a 2D space. Therefore, all the derivations and examples in the chapter are given in 2D space and point estimation is used. The main steps involved in a geostatistical technique applied to hydrogeological parameters are: Variography i.e., structure analysis, cross-validation, estimation and backward transformation (if any). Variography in determining variability of a parameter is an important step and quality of the estimation result depends on it. The 40

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procedure involves calculation of experimental variogram, its modelling through theoretical variogram and its validation by reproducing the field data. 2.1 Calculation of Experimental variogram from scattered data Unlike mining or airborne geophysical survey, hydrogeological parameters are measured on scattered locations due to the fact that most of the parameters are collected from the wells that exist in the vicinity of a village and not on a grid pattern. Low cost of the groundwater projects also restricts a systematic and extensive data collection. A generalised formula to calculate experimental variogram from a set of scattered data can be written as follows (Ahmed, 1995).

(d, ) =

where with

1 2 Nd

(1)

" d + d , - " + d - d d

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d = 1 Nd

Nd "i , = !i=1 d

(2)

where d and are the initially chosen lag and direction of the variogram with d and as tolerance on lag and direction respectively. d and are actual lag and direction for the corresponding calculated variogram. Nd is the number of pairs for a particular lag and direction. The additional eqn (3) avoids the rounding off error of pre-decided lags (multiples of the initial lag only are taken in conventional cases) and the direction. It is very important to account for every term carefully while calculating variograms. If the data are collected on a regular grid, and d is taken zero, eqn (2) and eqn (3) will be simplified only for . Often, geohydrological parameters exhibit anisotropy and hence variograms should be calculated at least in 2 to 4 directions to ensure existence or absence of anisotropy. Of course, sufficient numbers of samples are required in that case.

Nd

Nd "i !i=1

(3)

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2.2 Modelling an experimental variogram Calculation of experimental variogram is subjected to many approximations and its plot is mostly irregular. A smooth curve is therefore, fitted to it. This fitting is called modelling and the fitted curve is called a theoretical variogram. A theoretical variogram is defined by a number of parameters e.g., sill, range, nugget effect and model type. These parameters of a variogram could approximately be decided by visualising the experimental variogram as well as by nature of parameter. For example, a variogram of transmissivity posses usually, a nugget effect but that of the water-levels does not. Sometimes, an experimental variogram is not satisfactorily fitted by any of the limited available theoretical variograms. Thus a combination of several variograms is fitted and the resultant variogram is called a nested structure. Following resultant variogram is only authorized as a nested structure.

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R (d) = !ik=1 ai i (d)

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(4)

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where ai0 > 0 i and i (d) are individual variograms. Mostly the fitting is visual

but often an automatic fitting such as least squares etc. is also used. However, a measure of difference between theoretical and experimental variograms is always calculated to decide the best of several fits. 2.2.1 Cross-validation test Theoretical variogram obtained by fitting an experimental variogram is usually ambiguous. It is therefore, necessary to validate it against the measured value. The cross-validation is performed by estimating the parameter at the points of measurement and comparing them with the field values in a statistical sense (Ahmed and Gupta, 1989). In this exercise, a measured value is removed from the data set one by one and the same is estimated at that point using the remaining values and the structural model. The process is repeated for the entire data set. Thus we will have, at all the measurement points, measured value (z), estimated value (z*) and variance of the estimation error (2). This leads to computing following statistics.

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3.

Various parameters of the variogram model are gradually modified to obtain satisfactory values of the eqns. 5 to 8. Therefore, during the cross-validation we test many important points such as:

i. Inferring a structural model and removing its ambiguity. ii. Deciding optimum neighbourhood. iii. Selecting suitable combination of additional information particularly in case of multivariate estimation. iv. Sorting out the unreliable data. UNIVARIATE GEOSTATISTICAL ESTIMATION

Although due to scarcity of data or various other reasons Ordinary Kriging, a class of single-variate geostatistical technique is not much practised, some work have been carried out and it was thought useful to present one of them here. Moreover, in most of the multivariate estimation also, ordinary kriging is used particularly in cross-validation test. 42

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z z*

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2i..........(8)

Modelling in Hydrogeology

3.1 Estimation of Fluoride content in an aquifer Fluoride content in groundwater beyond a permissible limit has been a serious problem in aquifer in drought prone areas with granitic bed rocks. Also, this being a natural pollutant, its control including source identification is much more complicated. Fluoride contents (F) have been monitored in 146 wells in the district of Anantpur in A.P., India (Fig. 1). Although this parameter varies with time; a slow varying one, we have tried to estimate a regional picture of this parameter to delineate zones of high and low fluoride at one time. Since the F data was showing log-normal distribution, the values were transformed by taking logarithms of F. Experimental variogram of log-F was thus calculated and fitted with a theoretical model which was cross-validated later. (Ahmed and Murali, 1992).

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(d) = 0 0.038+0.016 sph(7)

The variograms were also calculated in two perpendicular directions and it was found that they do not exhibit any anisotropy. A mean variogram was therefore, calculated and approximately fitted with the following variogram. The whole area was divided into a uniform grid of 1 Km by 1 Km and log-F was estimated at the centre of each grid using Ordinary Kriging with a changing neighbourhood equal to 25. The estimated values and the corresponding estimation variance are shown in Fig.s. 2 and 3 respectively. In Fig. 2 only three values of F viz., 43

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Fig. 1: Location of measurement points for Fluoride data

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Modelling in Hydrogeology

less than 1.5 ppm, between 1.5 and 2.0 ppm and greater than 2.0 ppm were considered. Areas with less than 1.5 ppm are safe for drinking, areas with more than 2.0 ppm should be abandoned but areas with F varying from 1.5 to 2.0 ppm could be used to treat water for drinking. Moreover, the map of variance of the estimation error has also

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4.

been divided into three values; viz., high moderate and low. A better decision could be taken by superimposing the two maps and arriving at the areas with F estimated to be within the permissible limit and the error map with highly reliable value etc. MULTIVARIATE GEOSTATISTICAL ESTIMATION

As the data in groundwater hydrology is usually scarce, we must make use of supporting information and apply multivariate geostatistical techniques (Ahmed and

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Marsily, 1987; 1988). Two common multivariate geostatistical techniques are described here which are mainly applied to groundwater hydrology. 4.1 Cokriging It is a common technique of geostatistical estimation with many variable information. Theoretical part is very well dealt with Journel and Huijbregts (1978), Myers (1982, 1984), Marsily (1986) etc. One very important point about this technique is that it requires sufficient number of measurement points at which both the variables under consideration are available to calculate the cross-variogram. Dong et al., (1990) has discussed advantages of cokriging of related variables. 4.2 Estimation of Transmissivity in an aquifer in North-West Tunisia In an area of 120 km2 of a semi-confined alluvial aquifer in Tunisia, many resistivity sounding results (at 82 points) are available besides data on transmissivity (at 16 points) and specific capacity (at 17 points). A new variable viz., electrical transverse resistance was calculated from resistivity and thickness obtained from the VES in the aquifer. The electrical transverse resistances were then corrected for the water resistivity variation. All the three parameters show log-normal frequency distribution and they have been transferred taking their logarithms (base 10). The geographical locations of these data are shown in Fig. 4. The regression between the variables shows a fairly good correlation (Ahmed et al., 1988). The variograms do not show any nugget effect and are fitted with spherical models with equal ranges but different sill values. The numbers of pairs during calculation of the variograms were not sufficient to perfectly fit theoretical models. Hence several trials for cross-validation have been made by varying variogram and cross-variogram parameters as well as the variogram type. Also the constrains of having positive definite kriging matrix were checked while modifying the cross-variogram parameters. Finally it was found that the spherical models of variogram and cross-variogram have given the best results while using all the three variables in estimation of log-T through cokriging. The details are given in Table 1.

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Table 1: Results of cross-validation test Estimated Variable Log-T Log-SC LOG-TR Log-T Log-T Log-T Log-T Variable(s) used in estimation log-T log-SC log-TR log-T & log-SC log-T & log-TR log-T, log-SC & log-TR log-T & log-SC Method Value of eqn. 5 0.0232 0.2900 0.0078 0.0180 0.0307 0.0178 Value of eqn. 6 0.1431 0.1655 0.0253 0.0710 0.1180 0.673 Value of eqn. 7 1.008 1.256 1.337 1.184 0.997 1.116 0.754

Log-T Log-T

The variogram parameters of variables Z (log of transmissivity / log-T), Y (log of specific capacity / log-SC) and W (log of electrical transverse resistance / log-TR) are given below. ZZ= 0.0 + 0.55 sph (6 Km), 0.14 sph (6 Km), ZY = 0.0 + 0.45 sph (6 Km), 0.20 sph (6 Km). YY= 0.0 + 0.60 sph (6 Km), WW= 0.0 + YW = 0.0 +

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The cross-validation tests clearly show that the best results are obtained using cokriging with all the three variables. It has been explained in the work of Ahmed and Marsily (1987) that cokriging should be used when the variables have high correlation coefficient and their residuals have spatial structure. This property of the residual to have spatial structure is, however, found between transmissivity and electrical transverse resistance but not between transmissivity and specific capacity. Thus an estimation of log-T has been carried out on the central points of square grids of 1 km side using method of cokriging with all the three variables. Fig. 5 and Fig. 6 show the estimated log-T and the corresponding standard deviation. An inverse transform of the estimated log-T values have given a regional distribution of T for siting a suitable well drilling site as well as to used in numerical modelling.

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Kriging with External drift ,, ,, 0.0131 0.0873 0.0023 0.1619 0.0085 0.1459 ZW= 0.0 + 0.16 sph (6 Km) &

0.936

0.951

Modelling in Hydrogeology

Fig. 6: Standard deviation of the estimation error for log-T in Tunisian aquifer

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4.3 Kriging with an external drift Drift in a general sense, is a deterministic (linear quadratic or even higher order polynomial as well as other regular functions) function of spatial co-ordinates. These types of drift functions are called internal drift or simply drift. However, according to Matheron (1971) a drift could be a random function also and may be represented by function of a different variable. This type of drift is called an external drift. Sometimes, two variables are very closely related and hence one completely or partially could represent the drift of the other. The expected value of a variable, knowing other variables simultaneously can be written as the conditional expectation in the following manner:

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E[ z ( xi ) / y ( xi )] = a 0 + a1 y ( xi )i.............(9)

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Similarly if data on many variables are available a, combination of these values can be used to define the external drift of the main variable as: where M is number of other variables. An estimator in this case is written as in case of

Ordinary kriging i.e. z* ( x0 ) =! i z( xi ) 0. But the weights associated with the data values will be different as the conditions of unbiasedness in this case give the following equations:

n !i=1 i = 1

(11)

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n !i=1 i y j ( xi ) = y j ( x0 )

j =1,...M

(12)

n !i=1 i = 1

i j i j

(14)

! y (x ) = y (x )

n i =1 0

j = 1,....... M .........(15)

n M 2 ( x0 ) = !i=1 i i0 + 0 + ! k=1 k y k ( x0 )

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The expression for the variance of the estimation error can be written as:

(16)

It can, however, be seen that the values of all the additional variables are required not only at the estimation points but also at those locations where values of the main variable are known. In practice, some of these values may not be available and we may have to use their estimated values, though it would affect the accuracy of estimation. The estimation variance in this method is generally higher than that in Cokriging or any other multivariate kriging methods (Ahmed and Marsily, 1987). This is due to the fact that there are additional unbiased conditions (eqn 12) and the data to minimise the variance are less. Another important point to be borne in the mind here, is the calculation of the conditional variogram. A conditional variogram of a variable having other variables as external drift, is a function of all the individual variograms as well as their cross-variograms (Ahmed, 1987). However, most of the authors e.g., Galli and Meunier (1987), Ahmed and Marsily (1987), Deutch and Journel (1992) etc. have used the variograms of the main variable only after verifying it through cross-validation.

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Modelling in Hydrogeology

5.

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2 k n iv

The area of interest is thus divided into considerably finer grids of uniform size and using the geostatistical estimation procedures, the kriging estimation variance are calculated with suitable kriging method depending upon the nature of the parameter. Since we are interested in the coordinates of the optimal location of the measurement points and since the objective function i.e. the variance of the estimation error without directly containing these coordinates, cannot be minimized with respect to the coordinates, an indirect iterative procedure is therefore, developed to arrive at an optimal or near optimal network. Considering the formula for the estimation error as follows:

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(v) = !i =1 i +

vv

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k =1,N

Data collection from a finite number of observation/monitoring points randomly or systematically distributed is necessary to infer the spatial variability of any parameter under study. The number and distribution of such stations are constrained by numerous factors of which cost and feasibility are quite common to consider. Therefore, it is imperative that an optimal monitoring network be evolved using minimum number of observations stations that can provide maximum information. At the same time configuration of a network also depends on the objectives and the end use of the project. One of the important and obvious end use of the data collection is to infer or estimate the parameter at the intermediate and/or unmeasured locations. Obviously even using the best available interpolation/estimation techniques, there would certainly be an estimation error and the further objective should be to improve upon this error in the form of minimization of variance of the estimation error. Based on this criterion a procedure of optimizing a temperature measurement network using geostatistical technique is developed. There has been a large amount of work using different statistical and geostatistical procedures in monitoring network design. Langbein (1979) and Loaiciga et al (1992) have presented overview for such applications. However, Agnihotri and Ahmed (1997) have made a short review and highlighted ambiguities in the methods with suitable examples.

(17)

iv

and

2 k

vv

point and v as well as between v and v respectively, i the kriging weights. It is clear that more the number of points, less would be the variance of the estimation error. Beside the number, the position of the measurement points from the estimation points/block also plays important role. As mentioned earlier, the entire area was divided into a number of grids of equal size. Using the block estimation of ordinary kriging, standard deviation of the

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Modelling in Hydrogeology

estimation error (

exceeded c, the pre-set values, was prepared. Also a few more norms as follows, were calculated. Average of Number of grids (M) where and

(v ) = k

(18) (19)

( v ) > c

k

(20)

optimal for a given c and addition, deletion or shifting of measurement points are made accordingly. After a few iteration of this procedure the network could be made optimal for the given c. In this procedure, it is also necessary that the optimality is checked on a further fine grid. Other constraints should also be considered and a much elaborate table of suitable additional measurement points could be prepared based on all other alternatives and the present method finally provides an optimal or near optimal network for a desired accuracy for the regionalization of the parameter.

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In a small watershed of 60 Km2 area (Maheshwaram watershed) near Hyderabad, India (Fig. 7) groundwater is mainly found in a coupled system of weathered and fractured granitic rocks. However, due to over exploitation and successive reduction in the rainfall recharge, the water table has declined and the saturated flow is mainly confined to aquifer consisting of highly fractured rocks only. Crystalline rocks of Archaean age, comprising gray and pink granites cover a major portion of the study area; porphyritic granites intruded by dolerite dykes and quartz reefs. The granites have undergone variable degree of weathering and fracturing. Large scale fracturing and jointing has resulted in formation of huge boulders of granite, which are also scattered randomly in the area. The water levels are being monitored through a network of about 55 bore wells out of which 25 have been specially drilled to observe comparatively undisturbed water table and the other 30 bore wells are selected based on the drainage pattern and intervals etc. from the existing private wells used for irrigation (Fig. 7). The water level measurements have been carried out on monthly basis for a period of almost one hydrological cycle.

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Fig. 7: Location map of the study area for water level optimisation.

About 30 wells (indicated as IFW) out of the 600 irrigation wells existing in the area have been selected for water level measurement based on the drainage pattern present, variation in rock formation covering the study area. Later 25 wells (indicated as IFP) taping the fractured aquifer have been drilled up to a depth of 45 m uniquely to monitor the water levels. These wells have been drilled based on the recommendation from geophysical investigations. Thus it was thought to reduce the number of wells so that; all the wells are monitored in a shortest possible time say one single day, discard some of the irrigation wells fitted with pumps as it was difficult to monitor static levels in these wells and reduce the cost of monitoring also

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without loosing the monitoring benefits. The objectives for geostatistical optimization of the monitoring network has been that the monitored water levels should (i) represent the true variability of the parameter and (ii) provide its estimate on unmeasured locations with a desired accuracy. Thus to obtain an optimal monitoring network having 25 IFP wells and minimize the IFW wells such that the kriging estimation of water levels provide standard deviation of the estimation error not more than 8 m (against the average standard deviation of 12 m of the water level data) in the entire area. Through a special procedure as described through eqns 1820 above the IFW wells were removed one by one and the impact with the above constraints were studied. Finally a network with 25 IFP wells and 15 IFW wells

9000

8000

7000

6000

Northing in metres

5000

4000

3000

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2000 1000 0 0 1000 2000 3000 4000 5000 6000 Easting in metres

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IFW LOCATION IFP LOCATION

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7000 8000

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9000

8000

7000

5000

4000

3000

2000

1000

0 0

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1000 2000 3000 4000

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have been evolved for monitoring the water levels every month. The contour map of the standard deviation of the estimation errors (k) from a network of 55 wells as well as from a network of 40 wells are shown in Figs. 8 and 9 respectively using a suitable kriging method. It is very clear that using the optimized monitoring network it is still possible to maintain the magnitudes of k. The constrained optimization of the monitoring network with only 40 wells will ensure that all the wells are measured in the shortest possible time every month. Also that the revised network consists all the 25 wells without pumping and one has to be careful for monitoring only 15 private wells fitted with pumps for irrigation. This provides a hydrogeologist much ease for an accurate water level measurement. The revised network will also provide almost same accuracy in estimation that would have been obtained from the network of 55 measurement wells.

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5000 6000 7000 8000 Easting in metres

Contour Interval = 0.5 m

WELL LOCATION

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6.

CONCLUSION

The field heterogeneity of groundwater basins is often inextricable and very difficult to analyse with deterministic methods. Another advantage of using geostatistical methods is that it provides the variance of the estimation error together with the estimated values. Of course, there are many advantages of these methods particularly in Groundwater modelling: The closer the values of the aquifer parameters to reality, the faster will be the model calibration. Better estimated values (with lower estimation variance) are initially assigned to the nodes of aquifer model using geostatistical estimation.

An optimal mesh size and number of nodes in discretizing aquifer system, can be obtained and best location of new control points can be predicted. A confidence interval given by the standard deviation of the estimation error provides a useful guide to T modification at each mesh and to check that the calculated heads fall inside the confidence interval of the observed heads. A performance analysis of the calibrated model can be achieved to decide the best calibrated model using variance of the estimation error which can be used for prediction.

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A few modifications and improvement to the existing techniques permit to utilise hydrogeological data successfully in prediction of aquifer parameters. One such modification in kriging techniques is called "kriging with an external drift". This technique has been found quite useful in arriving at the estimation of hydrogeologic parameters. Cross-validation, though very cumbersome and not useful when data are numerous as in case of mining, it is much more useful and almost necessary when there are less data as in case of hydrogeological parameters.

A large number of works have been reported particularly using geostatistical methods in optimal data collection network design. However, very few have found application in real field. It is therefore, useful to analyse and discuss the problems of their application. A number of ambiguities have been found in the methods so far applied; some of them are quite severe. Since most of the network design is based on the reduction of kriging variance which does not depend on the measured value of the parameter at a newly decided location, a common ambiguity is about the maximum value allowed of the variance or the standard deviation of the estimation error (say a threshold). In the absence of an objective function directly involving the location of measurement points, it is difficult to minimize the variance of the estimation error ( 2k) Either this value is arbitrarily chosen or optimization of a data collection network may be terminated if the corresponding change in the 2k is negligible. 54

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An assumption is made in Aquifer Modelling that a single value of system parameter represents the entire mesh (Of course, very small). Averaging over a block in two or three dimension can be obtained through block estimation.

Modelling in Hydrogeology

It is finally recommeded that the method of estimating kriging variance on a block/area may be used in data collection network design but with the care as described above. Of course, the better way of analysing and designing a network is to discretize the area into a number of blocks and design a network by reducing the estimation variance on an average basis. This procedure could be repeated by reducing the size of discretized blocks until there is no change in the average statistics of the estimation variance. ACKNOWLEDGEMENTS Authors would like to thank the Director, NGRI for his kind permission to prepare the paper. We thankfully acknowledge the discussion made with Dr. PSN Murthy of Andhra Uiversity. REFERENCES:

Aboufirrasi, M. and Marino, M.A. (1983), "Kriging of water levels in Souss aquifer, Morocco", Math. Geol., Vol. 15, No. 4, pp. 537-551. Agnihotri, V. and Ahmed, S. (1997), "Analyzing ambiguities in data collection network design using Geostatistical estimation variance reduction analysis", Jour. of Environ. Hydrology, in press. Ahmed, S. and Marsily, G. de., (1993), "Cokriged estimation of aquifer transmissivity as an indirect solution of inverse problem - A practical approach", Water Resour. Res., Vol. 29, No. 2, pp. 521-530. Ahmed, S. (1987), "Estimation des transmissivites des aquiferes par methodes geostatistiques multivariables et resolution indirect du Probleme Inverse", Doctoral thesis, Paris School of Mines, France. Ahmed, S. (1995), "An interactive software for computing and modelling a variograms". In Mousavi and Karamooz (eds.) Proc. of a conference on "Water Resources Management (WRM'95)", August 28-30. Isfahan University of Technology, Iran, pp. 797-808. Ahmed, S. and Murali, G. (1992), "Regionalization of fluoride content in an aquifer". Jour. of Environmental Hydrology, Vol. 1, No. 1, pp. 35-39. Ahmed, S. and Gupta, C.P. (1989), "Stochastic spatial prediction of hydrogeologic parameters: Use of cross-validation in krigings". In Gupta et al. (eds.) Proc. of Internat. Groundwater Workshop (IGW-89), Hyderabad, India, Feb. 28 to March 4, Oxford & IBH Pub. Co., Vol. 3, pp. 77-90. Ahmed, S. and Marsily, G. de. (1987), "Comparison of geostatistical methods for estimating transmissivity using data on transmissivity and specific capacity", Water Resour. Res., Vol. 23, No. 9, pp. 1717-1737. Ahmed, S. and Marsily, G. de (1988), "Some applications of multivariate kriging in groundwater hydrology", Science de la Terre, Serie Informatique, Vol. 28, pp. 1-25.

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Ahmed, S., Marsily, G. de. and Alain Talbot (1988), "Combined use of hydraulic and electrical properties of an aquifer in a geostatistical estimation of transmissivity", Ground Water, Vol. 26, No. 1, pp. 78-86. Bardossy, A., Bogardi, I. and Kelly, W.E. (1986), "Geostatistical analysis of geolectric estimates for specific capacity", J. Hydrol. Vol. 84, pp. 81-95. Delhomme, J.P. (1974), "La cartographie d'une grandeur physique partir des donnes de diffrentes qualits". In proc. of IAH congress, Montpelier, France, Tome X, Part-1, pp. 185-194. Delhomme, J.P. (1976), "Application de la thorie des variables rgionalises dans les sciences de l'eau". Doctoral thesis, Paris School of Mines, France, 130pp.

Deutsch, C.V. and Journel, A. G. (1992), "GSLIB, Geostatistical software library and User's guide". Oxford Univ. Press, New York, 340p. Dong, A., S. Ahmed and Marsily, G. de (1990), "Development of Geostatistical Methods dealing with the Boundary Condition Problem Encountered in Fluid Mechanics of Porous Media. In Guerillot and Guillon (eds.) Proc. of the 2nd European Conf. on "Mathematics of Oil Recovery", Arles, France, Sept. 11-14, Technip, Paris, pp. 21-30. Galli A. and Meunier, G. (1987), "Study of a gas reservoir using the external drift method". In Matheron and Armstrong (eds.) Geostatistical case studies, D. Reidel Hingham, pp. 105-120. Hoeksema, R.J. and Kitanidis, P.K., (1984), "An application of the geostastical approach to the inverse problem in two-dimentional ground water modelling". Water Resour,Res.,Vol 20, No. 7, pp. 1003-1020. Isaaks, E.H. and Srivastava, R.M., (1989), "An introduction to Applied Geostatistics", Oxford Univ. Press, 561p.

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Journel, A.G. and Huijbregts, C., (1978), "Mining Geostatistics". Academic Press, 600p. Kupfersberger, H. and G. Bloschl (1995): "Estimating aquifer transmissivities" - On value of auxilary data. J. Hydrol., Vol. 165, pp. 85-99. Langbein, W. B., "Overview of Conference on Hydrologic Data Networks", Water Resour. Res., Vol. 15, No. 6, pp 1867, 1979. Loaiciga, H. A., Charbeneau, R. J. (1992), "Reiew of Groundwater Quality Monitoring Network Design", Jour. of Hydraulic Engineering, Vol. 118, No.1, pp 11-37. Marsily, G. de (1986), "Quantitative Hydrogeology, Groundwater Hydrology for Engineers", Academic Press, 440p. Matheron, G. (1963), "Trait de Gostatistique applique". Vol. 1 and 2 Edition Technip. Paris. 56

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Delhomme, J.P. (1979), "Spatial variability and uncertainty in groundwater flow parameters: a Geostatistical approach". Water Resour. Res., Vol. 15, No. 2, pp. 269280.

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Matheron, G. (1971), "Theory of Regionalized Variables and their Applications". Cahier du C.G.M.M., Fontainebleau, France, 211pp. Mizell, S.A.(1980), "Stochastic analysis of spatial variability in two -dimentional Groundwater flow with implications for observation-well network design". Doctoral thesis, New maxico institute of mining and technology, U.S.A.,133 pp. Myers, D.E. (1982), "Matrix formulation of Cokriging". Math. Geol., Vol. 14, No.3, pp. 249-257. Myers, D.E. (1984), "Cokriging - New developments. In Verly et al". (eds.) Geostatistics for natural resources characterization. D. Reidel Pub. Co., pp. 295-305. Neuman, S.P. (1984), "Role of Geostatistics in subsurface hydrology". In Verly et al. (eds.) Geostatistics for natural resources characterization, Proc. NATO-ASI, D. Reidel Pub. Co., pp. 787-816. Roth,C.(1995), Contribution de la Geostatistique a la resolution du probleme inverse en hydrogeologie. Doctoral thesis,Paris school of mines,France,195 pp. Samper F.J. and Carrera, J. (1990), "Geoestadstica - Aplicaciones la hidrologa subterrnea". Bercelona Univ., 484p. Sen, Z. (1992), "Standard Cumulative Semivariograms of Stationary Stochastic Processes and Regional correlation". Math. Geol., Vol. 24, No. 4, pp. 417-435. Wackernagal, H.(1995), "Multivariate Geostatistics: An introduction with applications". Springer, 256 pp.

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.59-72

M. Thangarajan

The groundwater flow models so far used represents the porous media having continuous interconnected pore space. The flow problem in the fractured rocks has always been and will continue to be of interest to hydrologists. Evolving conceptual model of a fractured system requires either a gross simplification or a detailed description of the aquifer properties controlling the groundwater flow. At present, there is only a basic conceptual understanding of flow in the vicinity of weathered and fractured hard rock aquifers. Normally this conceptual understanding is not translated in to the quantitative interpretation procedures; often, simple continuum models are applied to analyse pumping test data, and the results then used to produce quantitative calculations on a regional scale. Even if the regional system can be represented using the continuum equivalent approach, it is unlikely that the results of applying continuum models at the local scale have any general validity, and also aquifer parameters so derived, may be different to the aquifer parameters appropriate for describing regional flow in quantitative terms. Hence, there is a need to develop appropriate methods for analysis of pumping test data and appropriate simulation technique to improve the success rate and yield of wells in fractured rock. The analysis should provide cost-benefit analysis for new and / or in-fill wells. To do this, it is necessary to investigate in detail the flow in the vicinity of a pumping borehole, and to apply appropriate non-continuum models. Fractured systems are typically using one or more of the following conceptual models: (i) equivalent porous medium, (ii) dual porosity medium, (iii) discrete fracture network model, and (iv) stochastic continuum model. This paper deals with the different approaches used to simulate the fractured aquifer system. Keywords: Dual porosity, discrete fracture network model, stochastic continuum model, discrete-fracture networks.

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Abstract

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1.

INTRODUCTION

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Fig. 1: Hard rock regions of India (after B.P.Radhakrishna) It is, thus, imperative to develop more reliable techniques for estimation of aquifer parameters in hard rock region and assessment of these resources for their hazardfree optimal exploitation. The ultimate objective would be to evolve an appropriate methodology for a rational management of this precious natural resource and thereby find lasting solutions to the problems of water scarcity and water quality. 60

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Hard rocks are all those crystalline hard and massive rocks, which have no intergranular porosity. The most common types are the granites and basalts. The distribution of hard rocks of India is shown in Fig. 1 (Radhakrishna, 1970). The crystalline limestones, quartzite, sandstones, and many schistose rocks formed as a result of metamorphism are also called hard rocks (Radhakrishna, 1970). However, due to tectonic disturbances, secondary porosity in the form of fissures, fractures, and joints have higher permeability. Number of fractures, if they connect to form networks, can be expected to form the principal pathways for fluid flow and mass transport. The hydraulic conductivity of individual fracture in granitic rock can vary over several orders of magnitude, and the geometry of interconnection of the fracture is generally irregular. For these reasons, the properties of the fractured rock mass with respect to groundwater flow are, on a local scale, extremely heterogeneous. Hydrological testing methods that are commonly used to characterise less heterogeneous rock is of questionable value for characterising rock masses. Traditional methods for interpretation of hydrological test results are based on assumption of flow through an approximately homogeneous porous medium with simple flow geometry (e.g. radial or spherical flow). In fractured rock, the test results are, in general, controlled by fracture properties on a very localised scale, and the flow geometry can be very irregular.

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2.

MODELLING APPROACH

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Fig.2: Comparison of DFN, SC,and CN Models (after Golder Associates Inc) 61 Fig. 3: Conceptual model of flow systems

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The comparison between DFN, SC and CN modelling approach is shown in Fig. 2. The data analysis and the conceptual model of the system are explained in Fig. 3. The model validation and prediction is shown in Fig. 4.

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Groundwater flow is expected to occur in crystalline rocks mainly through networks of interconnected fractures and joints. Discrete-fracture networks (DFN) models provide a means of explicitly representing flow path geometry in such cases. The geometry of interconnection among fractures determines the locations and pathways. The statistical geometry of fractures can be deduced directly from observation of fractures in borehole and at outcrops on the surface. Thus, the flow paths in DFN models arise as a direct consequence of observed fracture geometry, rather than as the result of conditioning on cross-hole hydrological data. The applicability of this model is limited in terms of scale of the area and volume to be simulated. The maximum volume (3D) that can be modelled depends upon the intensity of fracturing and the resolution (in terms of minimum fracture conductivity) that is desired. Due to these limitations, DFN models must be used in conjunction with Stochastic Continuum (SC) and Channel Network (CN) models. SC model is used to model fluid flow in the larger scale by making use of probability distribution of fracture properties (i.e., given a definite location, size, transmissivity etc). In practice, it is extremely difficult to characterise all hydraulically significant fractures in a block of rock, in which case, stochastic modelling allows uncertainty to be represented explicitly. Monte Carlo simulations resulting in multiple model realisations achieve this. Dual porosity stream tube modelling is used to predict mass transport. CN models are used as an alternative model for transport within the dominant flow pathways. The DFN model is used to provide information required for the other two modelling approaches.

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Fig. 4: Model Validation and prediction (after Golder Associates Inc) 2.1 Equivalent Porous Medium

Fractured system is represented as an equivalent porous medium (EPM) by replacing the primary and secondary porosity and hydraulic conductivity distribution with a continuous porous medium having so called equivalent or effective hydraulic properties. The parameters are selected so that the flow pattern in the EPM is similar to the flow pattern in the fractured system. An EPM approach assumes that the fractured material can be treated as a continuum and that a representative elementary volume (REV) of material characterised by effective hydraulic parameters can be defined. Simulation of flow in fractured system using this concept requires definition of effective values for hydraulic conductivity, specific storage, and porosity, which are, in turn, determined from aquifer testing (Gingarten, 1982), estimated from water balance or inverse models, and or calculated from field description of fracture apertures, lengths and interconnections, and unfractured rock volumes and permeabilities (Cacas et al., 1990 a). When EPM is considered, then standard Finite Difference Method (FDM) or Finite Element Method (FEM) may be applied to simulate groundwater flow in fractured system. This approach can be applied, only if the system has high intensity of fractures, otherwise this concept is not valid. Many research workers, however, have concluded that EPM approach may adequately represent the behaviour of regional system, but poorly reproduces local condition.

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2.2 Dual Porosity Medium If the rock mass containing the fracture network has significant primary permeability, then a dual porosity approach may be used. Barrenblatt et al. (1960) have proposed this concept. In this conceptual model, flow through the fractures is accompanied by exchange of water to and from the surrounding porous rock matrix. Obviously, the fracture network as well as the properties of the porous blocks must be described prior to modelling. Exchange between the fracture network and the porous blocks is normally represented by mass transfer function (Huyakorn et al., 1983). The double porosity approach is primarily applicable to sedimentary formations such as sandstone, but may also be of interest in the inverse interpretation of the hydraulic properties of hard rock formation. 2.3 Discrete Fracture Network A discrete fracture network model assumes that water moves only through the discrete fracture network. This approach is typically applied to fractured media with low primary permeability such as crystalline rocks. The flow through single fracture may be identified as occurring between two parallel plates with a uniform separation equal to the fracture aperture. The parallel plate fracture flow equation is derived from the Navier-Stokes general equation for fluid flow in three dimensions of space as;

Where,

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is fluid density is viscosity of fluid u is groundwater flow velocity PT is total pressure Flow through a single fracture may be idealised as occurring between two parallel plates. For the parallel plate situation, the relationship can be simplified in to 1-dimensional equation. This is because the aperture is assumed infinite perpendicular to flow. This condition is illustrated in Fig. 5.

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Fig. 5: Parallel flow Approximation

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Where, dP/dx u = -G is the groundwater velocity in x direction

Where, A and B are arbitrary constants and they can be eliminated by applying boundary conditions: when z=0, u=0 and z=d, u=0 Where, d is the aperture size. Substituting these boundary equation in to equation (3)

U =

G (dz z 2 )............................................(4) 2

Given the symmetry of the system, it is then possible to integrate this relationship with respect to z in order to obtain a discharge per unit length of the fracture.

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Q =

Where, G is pressure gradient. When using head gradient, one must use the following relationship:

Where, i is the hydraulic gradient, is density of fluid and is the viscosity of fluid. By making use of Darcy law, one can write -Aki 64 (7)

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Q =

Thus, the velocity profile across the fracture is parabolic, the maximum is located at z=d/2.

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Equations 6 & 7 show an analogy in terms of flow. Transmissivity is defined as hydraulic conductivity multiplied by saturated thickness, so that equation 7 can be rewritten as: Q = -Ti (8)

for discharge per unit length in x direction. Thus, transmissivity of fracture can be written as The above derivation has been taken from Alex Bond (1998).

T =

2.4. Discrete-Fracture Network (DFN) Models are applied for -(i) (ii) (iii)

Small scale modelling. Explicit representation of flow path geometry. Process of flow and mass transport assumed to take place primarily or entirely through network of discrete fractures.

(ii)

(iii)

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(i) (ii)

Explicit representation of the geometry and physical properties of fracture and fracture zones. Ability to incorporate fracture-geometry data in the model, and thus give a basis for extrapolation from packer tests of uncertain flow geometry. Possibility of modelling fracture zones on various scales, including undetected zones and other heterogeneities, based on observations of structural patterns.

2.6. Disadvantages of DFN Model The approach is relatively new, so the modelling tools are not as sophisticated as continuum tools. They have generally been developed for specific applications e.g., deep repository or reservoir studies, treatment of water table, unconfined aquifers, and surface water features is currently under active research. Need for fracture geometrical data at sampling location distributed throughout the region to be modelled, including data at depth. When sampling locations are not well distributed, extrapolation is required. Need to simplify fracture patterns and / or restrict the range of fracture transmissivity modelled to simulate large-scale region. 65

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This methodology is applied in advanced countries for identification of sites to dispose nuclear wastes. Models based on DFN approach are computationally complicated. To date, applications are only to the oil industry, mining industry and nuclear waste disposal sites. 2.7 Stochastic Continuum Approach The stochastic continuum theory treats the parameter heterogeneity in the context of a statistical (probabilistic) framework. It is usually assumed that an effective hydraulic conductivity tensor K exists on some averaging scales, and that it forms a continuous random tensor field i.e.,

The assumed hydraulic conductivity field Ks(x) is described by the expected value, the variance and the co-variance function, but possibly by trends. The following steps are involved in SC approach: (i) (ii) (iii) (iv) (v) Estimate the population statistics i.e., expected value, variance and co-variance. Divide the flow domain in to blocks. Generate multiple realisation of the conductivity field Solve the flow problem for each realisation. Carry out statistical analysis of the results from the simulations.

Normally the conductivity is transformed so that the resulting value field will satisfy the theory of Regionalised Variables i.e., stationarity and Gaussian behaviour. In general, it is assumed that Ks is locally isotropic at each point in the log-conductivity field is a statistically stationary one.

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Z (x) = 2.8. Advantages of SC Model (i) (ii)

Z (x)

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= ln (K(x )) 66

The hypothesis of a multivariate normal distribution Z implies that the entire statistical structure of the stationary Z(x) is completely defined with the aid of and ij = Cz(xi xj) Where, denotes the mean and Cz the two point co-variance. Thus, we may write ln(k(x)) (N (,,z (or Iz)) (12)

An extensive theory and statistical procedure for analysis. Ability to model site scale regions.

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.. (11)

Ks

Ks(x)

--

(10)

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(iii) (iv)

The possibility of conditional simulation. A tendency to produce more structure than a purely random field.

2.9. Disadvantages of SC Model (i) (ii) (iii) Simplistic structure of the conductivity field produced by these models. Inability to model discrete, heterogeneous connection. Uncertain relation of model parameters to the varying support scales owing to the differing influence of radii when performing pumping tests.

3.

Though analytical methods provide error free solution, it is applied only to simplified flow conditions with regard to the physical and geometrical aspects of the aquifer system. Therefore, one has to resort to numerical methods. Groundwater modellers are using both finite difference (FD) approximation and finite element (FE) techniques to solve groundwater flow equation. Computationally, FD is easier than the FE method. Since the flow problem is heterogeneous in fractured rock, it is preferred to use FE technique.

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4. (i) (ii) (iii) (iv)

PROCEDURE (STEP-WISE) FOR MODELLING DISCRETE FRACTURE NETWORK Preliminary geological and geophysical investigations for selection of suitable sites. Geological assessment [scan surveys on outcrops, borehole logging (fluid logs, formation logs, calliper, CCTV, ideally acoustic televiewer), surface geophysics, coring and trenching]. Selection of an appropriate conceptual model for discrete-fracture network geometry. Testing (core material / trench material, pumping tests, packer tests and tracer tests).

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A major problem with numerical simulation using stochastic continuum-approach is that of framing representative model blocks in which the heterogeneous equivalent conductivity is spatially varying parameters for which spatial conductivity is defined in geostatistical terms. This problem is particularly relevant to hard rocks, where the amount of test data is by far too small to the size of the regional flow domain to be modelled. It is, therefore, proposed to use DFN model to characterise the discrete fractures and use this as an input to stochastic continuum model to simulate regional flow

Modelling in Hydrogeology

(v)

(vi)

(vii)

(xi)

(xii) (xiii)

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Fig. 6: Oblique view of fractures generated in a 5m cube at Helsby using NAPSAC computer code (after Allex Bond) 68

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Derivation of statistics for fracture properties from site characterisation data to conceptualise a preliminary DFN model for the rock mass. Constant (pressure) head packer tests will be analysed using fractional dimensional methods to estimate effective transmissivities and flow dimension for the packer test intervals. Discrete fracture data on orientation, size, shape, and location along with hydrologic data will be used to evolve preliminary conceptual model for the conductive fractures at the site. The variability of fracture properties will be expressed by probability distributions. The preliminary conceptual model will be used to simulate 3dimensional population of conductive fractures in a cube of rock. Transient packer tests will be simulated in these fracture populations, and the simulated results will be used to validate the preliminary conceptual model. The calibrated model will, then, be used to estimate the components of effective conductivity tensors for the rock by simulating steady state groundwater flow through cubes in three orthogonal directions. Monte Carlo stochastic simulations will be performed for alternative realisations of the conceptual model. Adaptation of software for discrete fracture network (DFN) flow model (FracMan or NapSac or Frac3dvs) based on observable, geometric, and hydrologic characteristic of the fracture population, that can be used to predict groundwater flow through fractures of the crystalline rock. (Fig. 6)

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Modelling in Hydrogeology

Due to fundamental limitations of site characterisation technology, the data needed to model the exact geometry and property is limited to a few boreholes and outcrops. Although a few major conductive features can perhaps be identified within the rock mass by geophysical methods such as borehole radar, skin depth effects and interference limit the resolution of these techniques. Since the locations and properties of most of the fractures in the rock cannot be measured by any available means, an approach is needed that is based on some form of statistical characterisation of the fractured population. The following data are required to characterise the discrete fractures through the DFN model. Fracture Property 1. Orientation 2. 3. 4. 5.

6. Transmissivity

7. Dimensionality 8. Storativity

9. Transmissivity Variability

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5.1 Information Needed for SC Modelling (i) The minimal scale [the representative volume (REV)] if any, on which the rock mass can be said to behave as an equivalent porous medium. (ii) The variability of (average) rock mass effective hydraulic conductivity (K). (iii) The variability of anisotropy, expressed in terms of the ratios of the principal components of the (presumed) hydraulic conductivity tensor (Kx, Ky and Kz) to the average hydraulic conductivity K. (iv) The form of spatial correlation of rock mass conductivity that results from fracture network effects. (v) The relationship between apparent hydraulic conductivities measured by borehole testing and the effective hydraulic conductivities of the rock mass on the scale of blocks used in SC modelling.

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Data Source Lineament and Fracture Maps, Core Logs Core Logs and Packer Tests Lineament and Fracture Maps Lineament and Fracture Maps Fracture Maps, Generic Information Steady and Transient Packer Test Data Transient Packer Test Data Transient Packer Test Data and Generic Information Generic Information

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5.2 Information Needed for CN Modelling (i) The spatial intensity of channel (number per unit volume) as a function of channel length and channel conductivity, based upon the observable geometric characteristics of the fracture population. (ii) The interconnectivity of flow channels (number of intersection with other channels per unit length of channel) in three dimensions. The spatial intensity of channels can be estimated directly from packer test data, but DFN models may provide independent ways for deducing the same data.

Uncertainty in a model of the heterogeneous system exists whether the simulations are based on a SC, CN or DFN approach. The uncertainty arises from problems inherent to data collection, such as sample size, sampling bias, sampling accuracy and analysis limitations.

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6. CONCLUSIONS

Assessment of the dynamic potential of groundwater resources through mathematical modelling (discrete fractured network modelling) in a hard rock region will be the first of its kind in this country. The combined DFN and SC Model will be a potential tool to get answer for (i) Borehole optimisation orientation, location pumping regime, artificial recharge, etc. (ii) Yield estimation from a single borehole and / or a sub-basin (iii) Contaminant prediction

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The variability and uncertainty are inherent in modelling a heterogeneous system. Variability in the model arises from the heterogeneity of the system. In the case of a DFN Model, variability is expressed in terms of probability distribution for fracture properties (orientation, transmissivity etc.), the forms and parameters of which can be estimated from field data.

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All fracture properties can be viewed as stochastic variables, the variability of which is characterised in terms of probability distributions. Because the quantity of data is limited, and because a finite degree of error is associated with any single data measurement, the estimated forms and parameters of probability distributions for fracture properties have an associated uncertainty.

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It is suggested to establish a National facility to carry out research work on Characterisation of Fracture geometry and Modelling of Fracture aquifer system. ACKNOWLEDGEMENTS Director, NGRI is thanked for his keen interest in this topic and according permission to present this paper. Prof. Rae Mackay, Dr. John Tellam, Alex Bond of The School of Earth Sciences, University of Birmingham, U.K. and Dr. A. Mark Jones of Golder Associates Inc. (U.K. Ltd.), Nottingham are thanked for their personal interaction and providing technical information on the above subject when the author visited U.K. during July, 1999. REFERENCES: Alex Bond, 1998. "A preliminary investigation in to the effects of fracturing and fluids in the Triassic sandstone of the North Chestire basin". Unpublished M.Sc. Thesis of School of Earth Sciences, University of Birmingham, UK, p. 118. Anderson M.P. and William W. Woessner, (1991). "Applied groundwater modelling: Simulation of flow and advective transport". Academic Press, London, New York, P.381. Baecher, G.B., Lanncy, N.A. and Einstein, H.H., (1977). "Structural description of rock properties and sampling". Proc. of 18th U.S. Symp. On Rock Mechanics, American Instt. of Mining Engineers, 5C1-8. Barker, J., (1988). "A generalised radial flow model for hydrologic tests in fractured rock". Water Resources Research, Vol.24, pp. 1796-1804. Barrenblatt, G.I., Zheltov Iu, P., Kochina, I.N., (1960). "Basic concepts in the theory of seepage of homogeneous liquids in fissured rocks", PPM, Vol. 14, No. 5, pp. 853864. Bingham, C., (1964). "Distribution on the sphere and on the projective plane". Ph.D. Dissertation, Yale University, New Haven, Connecticut, U.S.A. Cacas, M.C., Ledoux, E., De Marsily, G. and Tillie, B., (1990). "Modelling fracture flow with stochastic discrete fracture network: calibration and validation-" (1) The flow model. Water Resources Research, Vol. 26, pp. 479-489. Dershowitz, W.S., (1979). "Probabilistic model for the deformability of jointed rock masses". M.Sc. Thesis, Massachusetts Institute of Technology, Cambridge, Massachusetts. Dershowitz, W.S., Herbert, A. and Long, J., (1989). "Fracture flow code cross verification plan". Stripa Project Technical Report SKB 89-02, Stockholm. Dershowitz, W.S., Lee, G., Geier, J., Foxford, T., Laponte, P. and Thomas, A., (1995). Fracman: "Interactive Discrete Fracture Data Analysis, Geometric Modelling, and Exploration Simulation", User Documentation. Golder Associates Inc., Redmond, WA.

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Deutch, C.V. and Journal, A.G. , 1992. "Geostatistical Software Library and Users Guide", Oxford University Press, 340p Geier, J.E. and Axelsson, C.L., (1991). "Discrete fracture modelling of Finnsjon rock mass; Phase I: Feasibility Study". Swedish Nuclear Fuel and Waste Management Co., Technical Report No. SKB 91-13, Stockholm. Gingarten, A.C., (1982). "Flow test evaluation of fractured reservoirs", Geol. Soc. of America, Special Paper 189, pp. 237-263. Hugakorn, P.S., Lester B.H. and Faust, C.R., (1983). "Finite element techniques for modelling groundwater flow in fractured aquifers". Water Resources Research, Vol. 19, No. 4, pp. 1019-1031. Lee C. and Farmer, I., (1993). "Fluid flow in discontinuous rocks". Published by Chapman and Hall, London & New York, P.169. Long, J.C.S., Gilmour, P.S. and Witherspoon, P.A., (1985). "A model for steady state flow in random 3-dimensional network of disc-shaped fractures". Water Resources Research, Vol. 21, pp. 1105-1115. Mark A. Jones, Alec B. Pringle, Iain M. Fulton and Shane ONeill, (1999). "Discrete fracture network modelling applied to groundwater resource exploitation in Southwest Ireland". Fractures, Fluid flow and Mineralization. Geological Society, London, Special Publications 155, pp. 83-103. Osnes, J.D., A. Winberg, and J. Anderson, (1988). "Analysis of Well Test data Application of Probabilistic Models to infer Hydraulic Properties of Fractures", Topical Report RSI 0338, RE/SPEC Inc., Rapid City, South Dakota. Radhakrishna, B.P., (1970). "Problems confronting the occurrence of groundwater in Hard Rocks", Proceedings of seminar on Groundwater potential in Hard Rocks of India, Bangalore, pp.27-44. Terzaghi, R., (1965). "Sources of error in joint surveys". Geotechnique, Vol.15, pp. 287-304. Tsang, Y.W., and C.F. Tsang, (1987). "Channel Model of flow through fracture media", Water Resources Research, Vol. 23 (3), pp. 467-479. UNESCO, (1999) "Water Resources of hard rock aquifers in arid and semi-arid zones", edited by J.W. Lloyd.

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Aquifer Flow Modelling by Numerical Simulation in Mahi Right Bank Canal Command Area, Gujarat, India.

A.K. Rastogi

Abstract

The study area of Mahi Right Bank Canal Command (MRBC) is situated in Kheda Dist. Gujarat State. The aquifer region covers an area of 2952 square kilometer and is bounded by rivers Mahi and Shedi on the northern, eastern and southern boundaries, and Alang Drain on the western boundary. In the present study groundwater flow behaviour in the water table aquifer was simulated over a period of two specific years (June 84 to May 85 and June 91 to May 92) based upon the available information. During this time span recharge to the aquifer from various sources involving rainfall, canal seepage, irrigation return flow and discharge due to evapotranspiration, pumping withdrawals and outflow from the region were considered. Using the technique of recharge distribution coefficient finite element solutions in terms of aquifer heads were obtained for the entire flow domain. A close agreement was noted between the observed groundwater head contours and the simulated contours for the period of May 1985 and May 1992 respectively. The average rise of water table observed for the two years 1984-85 and 1991-92 was 1.732m and 2.241m respectively which compared favourably with the simulated rise of water table of 1.815m and 2.163m respectively for the corresponding years. Keywords: Aquifer, Modelling, Finite element, Recharge distribution, Water table INTRODUCTION

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1.

With a phenomenal increase in the use of groundwater in recent years, the need has arisen for a better understanding of the aquifer head behaviour in response to recharge and pumping withdrawals from the system. This is essential for a sustainable development of the groundwater reservoirs. The available analytical solutions derived on the basis of certain assumptions are restrictive in use, in as 73

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Presently a groundwater flow model involving finite element method (FEM) is developed for a field problem. Mahi Right Bank Canal (MRBC) command area situated in Kheda and Anand districts, Gujarat state, India is chosen for the present study. 2. THE STUDY AREA

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The present study region of MRBC command area (Fig. 1) covers an area of 2997 sq. km and is bounded by Shedi river in the north, Mahi river in the east and south and Alang drain in west direction. The MRBC command area lies between north latitudes 220 26- 22055 and east longitudes 720 49- 730 23 and covers seven taluks namely Thasra, Anand, Cambay, Nadiad, Petlad, Borsad and Matar. The climate of the area is arid to semi arid with an average rainfall of 823 mm. About 96% of rainfall occurs in the monsoon season (June-Sept) and there is substantial variation in the monthly and annual rainfall. Detailed field investigations of the region were carried out by the Gujarat Water Resources Development Corporation (GWRDC), Gujarat state. Lithological cross sections of selected regions of the area have indicated the presence of a main water table aquifer consisting mostly of a mixture of gravel and sand which exhibits a large variation in the conductance properties. The transmissivity values range from 196 to 6830 m2/d with the highest values occurring in the eastern part of the aquifer. These values in general also tend to increase from north to south. The applicable value of specific yield within the aquifer region is 0.15. 74

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much as the real systems are quite complex in the geometry and the stresses imposed on the system vary widely in space and time. Consequently groundwater flow modelling plays an important role, particularly, in simulating the head behaviour in large aquifer systems, and is an important tool for groundwater systems planning and management. This has ensured harmless and timely supply of water to meet the ever increasing irrigation, industrial and municipal demand of water in many parts of the world which rely on groundwater based supply schemes. In an aquifer host of parameters cause dynamic stresses in the system which influence the groundwater head which is an important state variable in the flow domain. Recharge from the rainfall, return flow from the cultivated areas irrigated by canal water and tube wells, seepage losses from tanks and canals, river discharge and recharge, inflows and outflows from the flow domains and evapo transpiration loss continuously interact with the aquifer and cause changes in the ground water tables. Normally it is very difficult to exactly quantify the net recharge into an aquifer because except for pumping and evapo transpiration losses, the other contributions to the aquifer as mentioned above can not be estimated with exactness. Presently the value for these parameters is worked out based upon the recommendations of the Ground Water Recharge Estimation Committee (1984) and Indian Agricultural Research Institute (1983). These values are given by national experts after considerable research experiments in various types of aquifer conditions.

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Modelling in Hydrogeology

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Analysis of water table maps of the past few years suggested that the recharge to the aquifer from rainfall, canal seepage, and irrigation return flows exceeds the groundwater withdrawals from the region resulting in a steady rise of water table. For simulation purposes net annual recharge values over the area were considered. However, spatial distribution of the net recharge over the region is influenced by different surface runoff rates, changing evaporation and evapo transpiration rates due to varying soil texture, vegetation cover and urban development. The values of recharge from various sources are worked out presently using the norms given by Ground Water Recharge Estimation Committee (1984) and the Indian Agricultural Research Institute (1983). These are presented in Table 1 for the year June 84May85 and 91-92 respectively. The concept of recharge distribution coefficient (Sondhi et el 1989) is used presently to apply the appropriate recharge to various nodal sub-domains. This has been considered a better way of distributing the recharge adequately in the large aquifer systems. The important steps involved in the computation of recharge distribution coefficients (Rd) are:

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Obtain the groundwater head contours of the flow domain for two successive years N and N+1 from the field observations.

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Fig. 1: Location of study area 75

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LOCATION MAP OF STUDY AREA

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Compute the difference of nodal heads between N and N+1 year, which gives the annual water table rise at a node due to the net nodal recharge. Multiply the above difference with the nodal area of influence and the specific yield, which gives the applicable annual nodal recharge (AANR) at the node. Compute the average annual nodal recharge (ANR) at the node by dividing the net recharge in the flow domain by the total flow domain area and multiplied by the nodal area. Ratio of applicable annual nodal recharge to the average annual nodal recharge at the node gives the recharge distribution coefficient (Rd) value for the nodal

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The general governing equation for the groundwater flow in the MRBC command area can be given as

h ) h , h ) , + K x (h ) ( + + K y (h ) ( + R = S y y ' t x * x ' y *

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It is also assumed that in the present model the average annual inflow is almost insignificant (zero) compared to average annual outflow across the boundaries, which is computed by subtracting pumping withdrawals and aquifer storage from the net annual recharge. The no inflow assumption is justified in view of a continuously rising trend of the water level in the MRBC region over the past several years which suggests the only possibility of aquifer storage and outflows.

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(2) (3)

(1)

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where Sy is the specific yield,

Kx and Ky are the hydraulic conductivity values (m/d) in the principal axes direction, (x,y) is the elevation of aquifer bottom (m), and R (x,y,t) is the net nodal recharge (m/d). The initial and boundary conditions for the problem are given as, h (x,y,0) = H (x,y) for all x,y h (x,y,t) = HR (x,y,t) for all x,y 1

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where, H is the initial groundwater head (m) in the aquifer domain and HR is the known head (m) along the Alang drain and the river boundaries 1. The solution of the above governing equation (1) is obtained by Galerkin's finite element approach for which detailed formulation is presented. The study area is divided into 171 nodes with 294 triangular elements (Fig. 2).

SHEDI RIVER

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{

Aquifer properties and applicable net recharge are assigned to each element of the domain. The resulting system of linear equations can be finally written in the matrix form as,

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AIN DR NG A L A

1 1 # t + t & [P ] h tL + = $ [G ] + [P ]! h L t t " %

{ }

MAH

I RI V ER

where [G] is the conductance matrix containing hydraulic conductivity terms, [P] is the storage matrix with specific yield terms, t is the size of timestep, vector {FL} is the net flux at node L, {ht+t} is the unknown head vector and {ht} is the known head vector at time t. The solution is then carried out iteratively and during each timestep size of one day the right hand side known vector and the conductance matrix is updated with the latest head values to take care of the transient nature of the problem.

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{ FL }

(4)

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Using June 1991 initial water levels the FEM model was run for one year and the head distribution at the end of a year using applicable recharge values was computed. The observed head contours of May 1992 are in good agreement with the computed head contours. The groundwater head values varies from 55 m in the Northeast to 5 m in the South. Further, analysis of the results show that for a large area within the flow domain the difference in simulated and observed heads is not large. It is observed that in over 97% MRBC command area the difference in model and observed head values does not exceed 2 m and in about 70.% area this reduces further within 1 m (Table 2). Table 2. Percent area covered by various ranges of difference in the simulated and the observed head distribution Difference in the simulated and observed head (m) Year May 92 May 85 < 0.5 (1) 35.04% 30.77% 0.5-1.0 (2) 37.64% 43.59% 1.0-1.5 (3) 1.5-2.0

12.8%

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17.95% 6.84%

The head contours (Fig. 3) show the comparison between observed and computed head values within the MRBC flow domain. Further, defining the average water table rise

-$ $

1

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& nodal area x rise of water table at that node # , ! ! Total area of the flow domain % "

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Water table rise in m Numerically Computed 1.815 2.163 From field observation 1.732 2.241

it was found that the computed average water table rise in the region exhibits a close agreement with the average observed water table rise (Table 3) for both the simulation years. Table 3. Average water table rise in the MRBC flow domain May 1985 May 1992

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2.0-2.5 (4) (5) (6) 11.97% 1.7% 0.85% 0.00% 0.85%

2.5-3.0

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4.

CONCLUSION

A finite element model simulating water table aquifer in the Mahi Right Bank Canal Command area was developed using the concept of recharge distribution coefficient. Available data constrained the model for simulation periods of 1984-85 and 1991-92 respectively. Agreement between the simulated and observed head distribution in the area indicated the validity of the model. The average rise of water table observed for the two years 1984-85 and 1991-92 was 1.732m and 2.241m respectively which compared favourably with the simulated rise of water table of 1.815m and 2.163m respectively for the corresponding years. The dominant groundwater flow direction in the region remained almost the same (southwest) throughout the study period despite variation in the dynamic stresses on the aquifer system. Velocity magnitudes and fluxes were highest in the eastern part of the aquifer indicating it to be the most favourable region for further groundwater development. However, a continuous rise of water table recommends increased utilization of ground water to avoid situations of water logging in the area.

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Fig. 3: Regional groundwater head 79

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Computed Head - - - -Observed Head

Modelling in Hydrogeology

ACKNOWLEDGEMENTS Help of Groundwater Resources and Development Corporation Gandhinagar, Gujarat and MIC Nadiad is thankfully acknowledged for securing the required field data. REFERENCES: "Ground Water Recharge Estimation Committee Report" (1984) Ministry of Irrigation, Ground Water Estimation Methodology, Govt. of India, New Delhi. Indian Agriculture Research Bulletin 42 (1983) Water Technology Centre, New Delhi. Indian Agriculture Research Institute, "Resource analysis and plan for efficient water management". A case study of Mahi Right Bank Canal Command Area, Gujarat. Sondhi S K, Rao N H and Sarma P B S (1989) "Assessment of ground water potential for conjuctive water use in a large irrigation project in India". Journal of Hydrology 107:283-295

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.81-91

R.Ravi , P.N.Ballukraya and M.Thangarajan

1.

INTRODUCTION

The objective of the present modelling exercise is to realize the optimum levels of utilization of groundwater as well as to characterize the aquifer system of the Chennai city area (East Cooum Basin), approximately 500 sq.km (Fig.1), through mathematical modelling. The computer software used for this purpose is the USGS-MODFLOW. Water levels for the upper (top) unconfined aquifer were monitored from January 1992 by establishing 101 monitoring wells in equally spaced grid pattern. Post- and pre-recharge levels recorded during the years 1992, 1993 & 1994 in addition to monthly water levels recorded in 26 wells during the period April 1994 to June 1995 have been used as historic data to calibrate the mathematical model developed for the study area. In the case of lower aquifer, only a few field observations were available and with these as the data base, a two-layer aquifer system

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Infiltration of surface water is the main mode of recharge to the shallow groundwater system of the Chennai city area and thus plays a major role in the sustained development of groundwater resources in shallow aquifers. Recharge to the deeper (lower) aquifer is mainly through leakage from the overlying unconfined aquifer. A two layer aquifer system was conceptualised by consolidating all the available geohydrological data in the area of study. Lateral boundary demarcation was done based on the information gained from boreholes drilled in the area. The model was constructed and calibrated in two stages viz. steady state flow and transient state flow conditions. During model calibration, field values of hydraulic conductivity and storage coefficient were appropriately modified to achieve a better match between computed and observed groundwater levels. The computed well hydrographs were found to be matching reasonably well with the field hydrographs. The modelling study helped in characterizing the two-layer aquifer system.

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Abstract

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was conceptualized and an attempt made to understand the complex hydrodynamics of the flow regime using the above said software HYDROGEOLOGICAL SETTING

There are two principal aquifers in the study area, both of which are generally fresh water bearing, except a small part of the lower aquifer in the east near the sea coast (sea water intrusion)(Ballukraya and Ravi, 1998) as well as a few isolated pockets of highly brackish groundwater in the west. Both the upper (top) and the lower (bottom) aquifers are mainly made up of medium sand/clayey sand of alluvial origin deposited during Pleistocene/Recent period (Ballukraya and Ravi, 1995). The thickness of sand/clayey sand horizon of the upper aquifer ranges from 2 to 30 82

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Fig. 2: Land use pattern and discharge in metre per day steady state condition

The lower aquifer is also made up of predominantly medium grained sand/clayey sand with a thickness of 1 to 43m. The hydraulic conductivity and storativity of this aquifer as determined from the pumping tests are in the range of 5 to 150 m/d and 0.05 to 0.0002 respectively. The time-drawdown curves of these tests indicate a semi-confined flow condition. Very little field data is available as to the piezometric head of the second aquifer since the borewells tested tapped both the upper as well as lower aquifers, hence independent heads for the lower aquifer is not available. However it has been assumed that it is five to six metres lower than that of the upper 83

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metres. The saturated thickness is variable and dependant upon recharge from rainfall infiltration. The nature of response during controlled aquifer testing indicates that this unit is an unconfined or water-table aquifer. Hydraulic conductivity in the upper aquifer ranges from 6 to 150 m/day. These are based on the values obtained from a limited number of pumping tests carried out in some parts of the study area. The storativity (specific yield) calculated from the laboratory tests for this unit ranges from 0.18 to 0.25 (unconfined). Considering the fact that the aquifer samples collected from drill cuttings are not truly representative of in situ conditions, most of the clay and silt in it having been washed away during sample collection, the specific yield is likely to be over-estimated. Recharge to the unconfined aquifer is predominantly from the infiltration of rain water. The discharge from the aquifer is through pumping from the dugwells/shallow borewells for domestic and industrial needs in the east and for irrigation in the west. The land use pattern of the area as observed in the field is classified as urban, semiurban, agricultural and underdeveloped (Fig.2). The Total groundwater abstraction from blocks of one square km area in each of these land cover types has been calculated to be approximately 1080 m3/day; 270 m3/day; 2000 m3/day and 50 m3/day respectively.

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aquifer based on a few field measurements. The hydraulic conductivity and storativity assumed for this model is 6 to 100 m/d and 0.0002 to 0.0005 respectively. Below the second aquifer compact clay/shales of Gondwana age in the west and clays/crystallines in the east and south form the basement. The upper and lower aquifers are separated by a clay/sandy clay aquitard with a thickness of 1 to 27 metres and forming a semi-confining/leaky layer. The hydraulic conductivity and storativity assumed for this layer is 0.1 to 5m/day and 0.001 respectively. The locations in which aquifer parameters are available are given in figure 1. 3. BASIC PRINCIPLES OF GROUNDWATER MODELLING

A groundwater system is composed of interacting parts. While recognising the different components of the system and their functions, the ultimate concern of modelling is with the operation of the groundwater system as a whole in relation to its surrounding environment. Models integrate fragmented knowledge of the system's components and develop a comprehensive conception of the entire system. Some degree of simplicity or assumptions are required in modelling to represent or simulate groundwater systems. Approximations are factored into the analysis via the assumptions incorporated into the model after considering (1) the purpose of model, (2) the available computer code and (3) the database to be used in developing and testing the model. Although a model by design may be less complex than the real system it represents, over-simplifying a system is not always justified. Complete and comprehensive data is normally lacking for any specific groundwater system and the gap between data needs and availability increases with the complexity of the groundwater regime (Thangarajan et al., 1991). The effective application of models to field problems requires the ability to fill the data gaps with estimated, interpolated or extrapolated values. Considerable scientific judgement of a subjective or intuitive nature is often necessary for any degree of success in modelling. Attempts on modelling without a measure of experienced judgement could prove to be counter-productive. 4. MODELLING OF GROUNDWATER SYSTEMS

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The groundwater modelling procedure involves an appropriate discretization of the aquifer in space and time. The partial differential equation describing groundwater flow in three dimensions in a porous media of constant density can be described as (Rushton and Redshaw, 1979) /x (Kxx h/x) + /y(Kyy h/y) +/z(Kzz h/z) 84

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Groundwater modelling is concerned with the behaviour of subsurface systems. The models are simplified representations of these subsurface systems (aquifers). Modelling, therefore, may be considered as an exercise in system analysis whereby theories concerning the behavior of groundwater systems are organised into models and used for their predictive capabilities.

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= W +Ss h/t (1) where Kxx, Kyy & Kzz are the hydraulic conductivity along x,y and z co-ordinates which are assumed to be parallel to the major axes of hydraulic conductivity (LT -1) h is the potentiometer head (L) W volumetric flux per unit volume and represents source and/or sinks of water (T -1) Ss is the specific storage of porous material (L-1) t is the time (T) Equation (1) describes groundwater flow under non-equilibrium condition in a heterogeneous and anisotropic medium, provided the principal axes of hydraulic conductivity are aligned with the x-y cartesian co-ordinate axis. The ground water flow equation together with specification of flow and/or initial head conditions at the boundaries constitute a mathematical representation of the aquifer system. The groundwater flow equation (1) can be solved either using analytical or numerical techniques. Though analytical solutions are exact, they can be only applied to idealistic conditions and not for complex field problems. Therefore various numerical methods have been employed to obtain approximate solutions. Finite Difference Method is one such approach wherein the continuous system described by equation 1 is replaced by a finite set of discrete points in space and time, and the partial derivatives are replaced by terms calculated from differences in head values at these points. The process leads to systems of simultaneous linear algebraic difference equations and their solution yield values of head at specific points and time. These values constitute an approximation of the time-varying head distribution that would be given by an analytical solution of the partial differential flow equation. A computer software MODFLOW developed by the United States Geological Survey (USGS, 1988) was used for the present study. A pre and post processor viz. visual MODFLOW v. 2.00 developed by Guigner and Franz of Waterloo Hydrologic Software Inc., Waterloo, Ontario, Canada (1996) was used for the graphical inputting of the data and for analysis and presentation of the output data. MODFLOW can be used to simulate groundwater flow in two or three dimensions. Groundwater flow within the aquifer is simulated using a block centered finite difference approach. Multilayers can be simulated as confined, unconfined or combination of both. The flows associated with external stresses, such as wells, aerial recharge, evapo-transpiration, lakes with surface water, drains and rivers can be simulated through this computer code. The finite difference equation can be solved using either strongly implicit procedure (SIP) or WHS solver, developed by the Waterloo Hydrogeologic Group. The WHS solver uses a Bi-conjugate gradient stabilised (Bi-CGSTAB) acceleration routine implemented with some incomplete decomposition for pre-conditioning of the groundwater flow partial differential flow equations. This solver, as all iterative solvers, approaches the solution of a large set of partial differential equations iteratively through an approximate 85

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solution. Successive Over Relaxation (SOR) method is also available for solving the finite difference equations. WHS solver was used for the present study. 5. MODEL DESIGN

Chennai city aquifer system was conceptualised as a two-layer aquifer system separated by an aquitard layer. The study area was divided into 508 square grids of 1000m by 1000m with grid interval of 1000m in each layer. The grid map of the study is shown in figure 1. The grid interval was chosen based on the availability of data and information required for the model. The following boundary conditions and initial conditions were used.

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The surface elevation, bottom of the upper aquifer, bottom of the aquitard, bottom of the lower aquifer, in metres, with reference to mean sea level ranges between 2 and 40; -12 and 26; -21 and 15 and -33 and 5 respectively. Similarly the thickness of upper aquifer, aquitard and lower aquifer varies from 2 to 30m; 1 to 27m and 1 to 39m respectively. The western boundary of the upper (unconfined) and lower (semi/leaky confined) aquifers were taken as subsurface inflow boundary. The quantum of inflow was estimated at 9000 m3/day received in both top and bottom aquifer respectively (steady state). The quantum of inflow was calculated based on the transmissivity values and hydraulic gradient. Layer two (clay/sandy clay) is taken as aquitard. The north and south boundaries were treated as no flow boundaries as the flow is predominantly in eastern direction in both the aquifers. The subsurface outflow towards the sea along the sea coast in the east was simulated as time-varying fixed outflow of 29,218 m3/day in both top and bottom aquifers (steady state). The time-varying head was fixed based on water level data from wells along the coast which ranges from -0.5 to -3m (I layer); -1.5 to -6m (II layer) and -2 to -6.5m (III layer). For the upper aquifer, aerial recharge was assumed to be 15% of the annual rainfall on an average and the discharge (aerial; Fig. 2) assigned in the model ranges from 0 to 0.006 m/day and 0.00005 to 0.0015 m/day per unit area respectively. The discharge for the lower aquifer, assigned in wells is 2000 m3/day in the agricultural area (west) and 1500 m3/day in other areas. The transverse flow between the aquifers were calculated in the model by making use of differential heads between the top and the bottom aquifer and the intervening aquitard permeability and thickness. The aquifer parameters K and S were assigned zone-wise for each layer. The storativity assigned for the aquitard is 0.001. In general one tenth of the hydraulic conductivity of the aquifer/aquitard is assigned as vertical hydraulic conductivity in this model. However, in some places it is assigned with different values.

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8.

The porosity of upper and lower aquifer is taken as 0.2 and for the aquitard it is taken as 0.3. Specific storage is taken as one tenth of storativity for all three layers (i.e. upper & lower aquifers and aquitard). 9. The initial water levels for the model were taken as that of January 1992. 10. The abstraction from the wells/borewells were calculated based on field estimates. 11. Yearly input and output quantities were used in the present model. 6. MODEL CALIBRATION

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This figure indicates that there is a fairly good agreement between the calculated and observed water levels in most of the wells. The aerial abstraction from upper aquifer assigned under steady state conditions are 1. urban area - 0.0006 m/day 2. semi urban area - 0.00025 m/day, 3. agriculture area - 0.00078 m/day and 4. underdeveloped area 0.00005 m/day (Fig.2). The rainfall recharge assigned under steady state condition for area I, II, III, IV & V are 0.0007 m/day; 0.00045 m/day; 0.0007 m/day; 0.00022 m/day and 0.00066 m/day respectively. The calibrated zonal storativity (specific yield for first aquifer) values for the upper and lower aquifers ranges from 0.025 to 0.1 and 0.0002 to 0.0005 respectively. The storativity value for aquitard is 0.001.

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The aquifer condition of January 1992 was assumed to be the initial condition for the calibration of steady state model. The model calibration was started with the assumption that the aquifer was in a steady state condition (actually it is not so). The difference between the computed hydraulic heads and the field data were progressively minimised for each observation point. A number of trial runs were made by varying the hydraulic conductivity values of the upper and lower aquifers so that the root mean square (RMS) error was kept below 1.73m and mean error was kept below 0.7m. The calculated heads for the upper aquifer are shown in figure 3 along with observed water levels.

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The main method of testing the accuracy of a groundwater flow model is to simulate historical water level conditions and compare the computed values with the values measured in the field. This process is known as calibration. The model was calibrated in two stages viz., for a steady state condition and a transient condition.

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Fig. 3. Computed potentiometric surfaces (Jan. 92) for upper aquifer (Steady state) 6.2 Calibration of Transient Flow

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The hydraulic conductivity values, boundary conditions and waterlevels arrived through the steady state model calibration were then used as the initial condition in the calibration of transient flow model. The above were used along with the storage coefficient distribution and variable recharge distribution in space and time. The transient (dynamic) calibration was carried out for the time period January 1992 to December 1995. A number of trial runs were made by varying the storage coefficient and aquitard permeability values in a most appropriate way so that a reasonably good match is obtained between computed and observed well hydrographs. The computed heads in the upper and lower aquifers for transient condition, for various time periods, show a good agreement with the field values. The computed well hydrographs for these wells of upper aquifer show a fairly good agreement with the field values (Fig. 4). The mismatch observed in some of the observation points are generally attributed to the differences in the initial head conditions arrived through steady state calibration. The root mean square (RMS) error is 2.22 and mean error is 0.041 for the transient period (1461 days). The high RMS error may be due to the assumption of water level for the second aquifer as there is no accurate data for Piezometric levels in the second aquifer. The rainfall recharge of the areas I, III, IV & V is assigned as 10% for 0-366 days (1992); 20% for 366 to 1096 days (1993 & 1994); 10% for 1096 to 1461 days (1995) and for area II, 75% of that of area I is assigned. Similarly abstraction for upper aquifer is also assigned suitably for various time steps.

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7. THE UNCERTAINITIES IN THE MODEL Due to either sparse data or no data available in specific instances, some assumptions and estimates were made during the conceptualisation of the Chennai aquifer system. Any error associated with these assumptions gets reflected during the model calibration. The following uncertainities are inherent in the model and have to be verified through additional field investigations. 89

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2. 3. 4. 5. 6.

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8. CONCLUSIONS

The modelling study helped to improve the understanding of the complex hydrodynamics of the Chennai city aquifer system. The modelling exercise indicates that there exits a two aquifer system and also that there are vertical leakages from the first aquifer to the second aquifer. The land use pattern prepared based on field study and the abstraction calculated in the field play a major role in constructing the model. River Cooum and Adyar are essentially effluent streams, and this, along with the 90

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The thickness of the upper aquifer in some parts of the city area (small portion in the south east) is less hence the wells are tapping the second layer (aquitard). Actual demarcation of boundaries of layers i.e. upper aquifer, aquitard and lower aquifer is difficult as the lithology of the area is complex or varying at very short distances. The calibrated hydraulic conductivities assigned for the upper and lower aquifer are based on sparse data. There is no field data available for the aquitard. The recharge as percentage of rainfall is assigned with only five representative values based on data from three rainfall station. Only three values of specific yield are assigned for the upper aquifer (as three zones only). Only two values of storativity are assigned to the lower aquifer (as two zones only). There is no accurate water level (piezometric head) data available for the second aquifer for calibration. Also no field estimation of hydraulic conductivities is available for the aquitard. The groundwater budget obtained from the model is only 60 to 75 % of the values estimated from the field calculations. As per this modelling, the yearly recharge over the entire area is 124 MCM (1992); 157 MCM (1993); 172 MCM (1994) and 117 MCM (1995) and the same from the calculations of field data is 166 MCM (1992); 262 MCM (1993); 259 MCM (1994) and 165 MCM (1995). Field data for vertical permeability and porosity of the three layers (two aquifers and aquitard) are not available. There is no field data for the inflow in the west and outflow to the sea. Under transient condition, same amount of abstraction is assigned in lower aquifer (for 0 to 1461 days). The recharge and discharge calculated for the upper aquifer, based on the field data could be suitably assigned for each node (unlike what has been done now). As the aquifers are with complex hydrodynamic and hydrologic characteristics, the zonal assignment of input parameters of the model could be further refined i.e., each zone should be further divided into smaller zones and appropriate values should be assigned to make the model best fitting.

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Modelling in Hydrogeology

impermeable layer of sediments they have formed on their beds, probably is the reason why they have not contaminated the groundwater system to significant levels, inspite of their carrying urban waste for most of the time. The velocity vectors of the first aquifer brought out by this model show that the flow gradient is essentially eastward though some local variations do exist. The study also shows that with a normal rainfall/more number of rainy days (which allows a larger percentage of precipitation to infiltrate) there may not be undue depletion in groundwater levels and that the water levels recover to their original elevation after the recharge period. It is observed from the modelling exercise that when the field data is sparse and/or approximate, a mathematical model helps in understanding the true field conditions. However when the required field data is available,the model ascertains the accuracy of the field data.

ACKNOWLEDGEMENT

REFERENCES

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Ballukraya, P.N. and Ravi, R. (1995), "Hydrogeology of Madras city aquifers", Jl. Geol. Soc. of India, Vol. 45, pp. 87- 96. Ballukraya, P.N. and Ravi, R. (1998), "Natural fresh-water ridge as barrier against sea water intrusion in Chennai city", Jl. Geol. Soc. of India, Vol. 52, pp. 279 to 286. Guiger, N. and Franz, T, (1996), "Visual modflow Waterloo Hydrogeological Software", Waterloo, Ontario, Canada.

Rushton, K.R. and Redshaw, (1979), "Seepage and Groundwater flow", Mc Graw Hill Publishing Company, London. Thangarajan, M., Singh, V.S. and Gupta, C.P. (1991), "Modelling leaky aquifer systems: A case study", Water Resources Journal, Vol. 170, pp. 90-99.

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The first author gratefully acknowledges the Chief Engineer, State Ground and Surface Water Resources Data Centre, Water Resources Organisation, Public Works Department, Chennai for according permission for carrying out this research. The first author also gratefully acknowledges the Director, National Geophysical Research Institute, Hyderabad for permitting to work in the computer laboratory for carrying out this mathematical modelling exercise.

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It needs to be pointed out that the model requires further refining. It could not be done at the present stage for various reasons, most important of which being lack of computer-time. This is reflected in the slightly high RMS errors reported. There is not much doubt that with further work, a very accurate predictive model could be built based on the present work.

Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.93-102

Assessing Groundwater Management Strategies for The Lower Murray Region, Australia

J.F. Punthakey and S. Joseph

Abstract

With increasing demand on our natural resources the need for effective management of our resources is becoming imperative. In semi-arid regions of Australia where water resources are limited and in many cases over-allocated, the need for effective management of groundwater resources is an important issue. The Lower Murray aquifer system has been designated as a potential high risk aquifer system both in terms of entitlements and groundwater quality. A groundwater model was developed for the Lower Murray region so that it could be used to assist resource managers and the community to better manage the groundwater resources of the region. The model comprises three layers each representing an aquifer corresponding with the Shepparton, Calivil and Renmark system. This paper presents the results of model development and calibration and presents preliminary water balances for each layer. The Murray Region groundwater model will be used as a management tool for the long term prediction of regional groundwater movement, under varying climatic conditions and changing groundwater usage. The model will be used to estimate groundwater recharge, water level simulations for various scenarios of groundwater pumping and climatic conditions, and to assess the sustainable yield for the aquifer system. The model will also be an important tool for assessing the upper limit for entitlements for the aquifer. Keywords: Groundwater, Modelling, Resource Management, Recharge. INTRODUCTION

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1.

The Murray Region in southern New South Wales, Australia comprises the surface streams and groundwater system downstream of Corowa to the confluence with the Murray and Murrumbidgee Rivers and covers the whole of the Groundwater Management Area, GWMA016. The Murray Region also encompasses major 93

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Groundwater is an important resource for rural and regional communities and for sustaining rural economies. It is also a vital resource for sustaining vital ecosystems. As surface water supplies are fully committed, demand for additional irrigation water has placed greater pressure on limited groundwater resources. At present there are 210 pumping bores used for irrigation, and numerous shallow spear points which pump the shallow groundwater in order to control rising water levels. Past estimates of water available for extraction were around 400,000 ML and recent qualitative studies have reduced that figure to 140,000 ML (Ross, 1999). Kulatunga (1999) reported that the total groundwater entitlements for the Lower Murray region up to March 1999 was 329840 ML. At present total entitlements for the Murray region stand at 273,000 ML. Both groundwater users and the government agree that groundwater is a valuable natural resource and should be used in a sustainable way. This means that present use as well as any further development must be limited to the sustainable yield for the aquifer system. The development of the Murray Region groundwater model was undertaken to provide estimates of sustainable yield which could then be used to bring present entitlements to a level within sustainable yields and to improve management of the groundwater resource. The objectives of this study were to simulate groundwater behaviour under varying climatic conditions and changing groundwater usage; to estimate net recharge, sustainable yield and water level simulations for various pumping and climate scenarios; to predict response to groundwater pumping; and to assist groundwater users and Resource Managers to prepare groundwater management policies. This paper describes the development and calibration of the model and presents the results of pumping scenarios. 2. THE LOWER MURRAY GROUNDWATER MODEL

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The Lower Murray regional groundwater model covers an area of approximately 17,000 km2 equivalent to 5.7 percent of the Murray geological basin. The model domain is bounded by Billabong Creek and the Murray River shown in Figure 1. Both form good boundary conditions for the shallow groundwater system. Although the aquifers are large in areal extent as they form part of the Murray Basin, both 94

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irrigation districts including Wakool, Berriquin, Denimein and Cadell. Recharge to the aquifer systems occurs principally from irrigation and rainfall recharge and in the eastern parts as leakage from the bed of the Murray River. There are also major contributions from the Wakool River, Edward Rivers and Billabong Creek, and there is also significant leakage from major supply channels such as Mulwala Canal. A limiting factor on the amount of water that can be extracted is the presence of saline water within the Shepparton Formation overlying the low salinity aquifers. About 70 percent of the Shepparton has salinities in excess of 3000 EC. In addition, salinity of the groundwater increases progressively in a westerly direction. Since 1971 approximately 90 monitoring bores have been established which penetrate aquifers at various depths and measurements of pressure levels are undertaken quarterly. There are also 3500 shallow piezometers which are at depths less than 20 m which are used to monitor water levels within and outside irrigation districts.

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boundaries follow streamlines. The boundary along Billabong creek forms a common boundary with the Lower Murrumbidgee groundwater model (Punthakey et al 1996). In the deeper aquifers flow occurs across these boundaries with the flow from Victoria crossing the southern boundary of GMA016 in a north westerly direction. Similarly there is flow across the northern boundary flowing into the Murrumbidgee region. The groundwater model used was MODFLOW and a grid of 2500 x 2500 m was imposed on the model area.

The model comprises 3 layers and each layer represents a major regional aquifer system, the Shepparton, Calivil and Renmark. The Shepparton Formation aquifer is most widespread, and because it essentially forms the land surface it has a major influence on recharge conditions. It is not a high yielding aquifer however, with relatively low values of hydraulic conductivity and storage. The Calivil aquifer is exposed at the land surface in some areas, notably near the eastern margin of the Basin. It therefore also plays an important feature in recharge to the regional aquifer system. It commonly has higher values of hydraulic conductivity than the Shepparton aquifer, and in the basin-margin areas where the influence of the alluvial fan deposits is present the values are very high. In these areas it can be the major water yielding part of the aquifer system. The Renmark aquifer is the deepest of the aquifers, and is nowhere exposed at the land surface. Apart from the alluvial fan areas, it is the most important of the aquifers, with greater thickness and generally high values of hydraulic conductivity because of the high proportion of sand and gravel it contains. Aquifer properties were determined from hydrogeologic database which included information on drillers logs, depth of bore, location, and limited water quality information. Water level and piezometric surfaces were generated for each of the layers using monitoring data. The modelling time frame extended over fifteen years from March 1985 to February 2000 and monthly stress periods with a total of 180 stress periods.

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Edwards i

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Monthly Usage Pattern (1975-89) 1000 Usage ML/mo 800 600 400 200

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sep

oct

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The transient packages used in the model were recharge, evaporation, river and well. Recharge and evaporation were estimated from monthly rainfall records for seven rainfall stations within the Murray region and estimates of surface irrigation. Soil descriptions were used to identify zones of high, medium and low recharge and appropriate factors were applied. Initial estimates were fine tuned during calibration. For evaporation estimates landuse, critical depth and topography were used to identify areas where evaporation would occur if the water table in those cells rose above specified critical depths. The river package was used to quantify the interaction between the river and aquifer system. The flow to or from the aquifer is controlled by the difference in head between the river and the aquifer within a cell and the conductance of the river bed. Each river was divided into reaches such that each reach is completely contained within a single cell, and stream-aquifer seepage is simulated for each reach within that model cell. The model of stream-aquifer interaction used here assumes the interaction is independent of the location of the stream reach within the cell, and the stream level is uniform over the reach and constant over the stress period. The use of a single conductance term to describe what is essentially a 3-dimensional flow process is a simplification which requires adjustment during model calibration. Processors were developed to specify river stage, bed conductance and river elevations for each river cell. There were reasonable records of groundwater usage from 1975 to 1989 however these were generally underestimated due to lack of metered data. Between 1989 and 1999 usage data was minimal due in part to lack of monitoring and loss of data due to database transition. In order make reasonable estimates of usage a methodology was devised which was based on the ratio of reported usage to entitlements for each bore and the historical distribution of monthly usage from 1975 to 1989 shown in Figure 2. Groundwater usage peaks between November and January during the irrigation season and is lowest in winter during June and July. In addition during the 96

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estimation period growth factors were used which approximated the increase in entitlements which grew from 52,700 ML in 1986 to 296,000 ML in 1999.0 During the modelling period (1985 to 2000) groundwater pumping from all three layers increased from 19,700 ML to 98,700 ML and from the deep aquifers (Calivil and Renmark) increased from 7400 ML to 77,800 ML indicating increased use of groundwater for irrigation. The major growth in usage from the deeper aquifers occurred during the past five years from 1995 to 2000. 3. CALIBRATION OF THE LOWER MURRAY GROUNDWATER MODEL

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The model was also calibrated for the transient response at selected bore sites where piezometric heads were monitored. For the shallow aquifer the trends in several bores showed that water levels were continuing to rise as shown in Figure 3. Bore 36391 in Figure 3 shows water levels continuing to rise over a fifteen year period from 1985 to 2000, whereas bore 36744 shows a steep rise until 1993 after which the water levels seems to have stabilised between 101.5 and 102 m AHD. During bore calibration emphasis was placed to ensure that trends were closely matched particularly post 1995 when pumping stresses had increased significantly for both Calivil and Renmark layers as shown in Figure 4. The Calivil bore 36585 in Figure 4 shows piezometric levels are steady until 1994 after which there are steep declines reflecting the increased pumping stress post 1995. The Renmark bore 36744 in Figure 4 shows a similar trend to the Calivil bore, piezometric levels are steady until 1994 after which there are steep declines reflecting the increased pumping stress post 1995.

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Fig. 3: Calibration of Shepparton bores 36391 and 36587 (observed light line, and modelled dark line)

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The Lower Murray groundwater flow model was calibrated using observed potentiometric data from 1985 to 2000. Comparison of contours of observed heads and modelled heads for the Shepparton, Calivil and Renmark aquifers at the end of the simulation period in March 2000 showed the modelled heads matched the observed head contours closely. The RMS error for each layer was 0.99, 1.12, and 0.98 m for the Shepparton, Calivil and Renmark layers respectively.

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Fig. 4: Calibration of Calivil bore 36585 and Renmark bores 36742 and 36744 (observed light line, and modelled dark line)

The water balance for the model averaged over 15 years from 1985 to 2000 is shown in Table 1 below. The water balance indicates that significant changes have occurred in the 1998-2000 period compared to the average over the past 15 years. Notable amongst these is that evaporation has increased reflecting higher water tables in some areas of the model. There has also been considerable decrease in recharge from the river to the aquifer as head gradients between the river and aquifer decrease in response to higher water tables. The increase in discharge to the river system is also important as it will increase in saline inflows to the river system.

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Inputs/Outputs Recharge River to aquifer Boundary flows in Evaporation Aquifer to river Boundary flows out Wells Net Storage change

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+/+ + + 1985-2000 213 76 33 18 48 14 53 189 98

Table 1. Water balance for the Lower Murray model for 1985-2000 and 1998-2000 (Gl/yr) 1998-2000 243 51 34 35 57 13 106 117

The major increase in pumping stresses from an average of 53 GL/yr to 106 GL/yr has implications on leakage from the shallow to the deeper system and on piezometric heads in the deeper layers where most of the increased pumping has

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Improvement in model calibration and performance can be achieved in the future, since the Department of Land & Water Conservation has instituted a program for metering all deep bores. Improvement in groundwater usage data quality and after the data is collected for a period of at least three years, the model can be re-adjusted to better reflect the improved data quality and also to improve estimations of sustainable yields and long term response to pumping.

Modelling in Hydrogeology

occurred. This can be better illustrated by examining water balances for the shallow Shepparton aquifer and the deeper Calivil/Renmark aquifers as shown in Table 2 and 3. The increase in pumping from the deeper aquifers from an average of 22 GL/yr to 73 GL/yr in 1998-2000 has resulted in a negative net storage of 36 Gl/yr. This has also resulted in sharp declines in piezometric levels in parts of the aquifer where pumping stresses are concentrated. Based on the 1998-2000 water balance and by considering all inputs to the deeper aquifers we arrived at a figure of 58 GL as an initial estimate of sustainable yield. The rational for taking all inputs was that out flow boundaries are far removed from where pumping is taking place. Also deep groundwater pumping plays an important role in inducing net leakage downwards and also in reducing upward leakage to the shallow Shepparton aquifer which is experiencing rising water levels due to irrigation recharge. Table 2. Water balance for the Shepparton aquifer for 1985-2000 and 1998-2000 (Gl/yr) Inputs/Outputs Recharge River to aquifer Boundary flows in Calivil/Renmark to Shepparton Evaporation Aquifer to river Boundary flows out Shepparton to Calivil/Renmark Wells Net Storage change +/+ + + + 1985-2000 203 76 8 12 18 48 1 17 31 184

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Inputs/Outputs +/+ + + Recharge Boundary flows in Shepparton to Calivil/Renmark Boundary flows out Calivil/Renmark to Shepparton Wells Net Storage change 19852000 10 25 17 13 12 22 5 99

Table 3. Water balance for the Calivil/Renmark aquifers for 1985-2000 and 1998 2000 (Gl/yr) 19982000 11 26 21 11 10 73 -36

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1998-2000 232 51 8 10 35 57 2 21 33 153

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4.

4.1 Management Strategies Until the early nineties the focus was on continuing development of groundwater resources. The impact that extraction of groundwater might have on its continuing availability and dependent ecosystems was largely ignored. In addition, the rights of groundwater users such as access rights and property rights were poorly defined. Similarly users obligations were not clearly defined which led to the following consequences: Licensed entitlements for many aquifers were in excess of sustainable levels; Extraction of groundwater was approaching or exceeding natural recharge; Degradation of ecosystems that depend on groundwater; Perceived inequities within, and between, users; and Uncertainty about the impacts of groundwater use on other values environmental, social or economic. Groundwater resource management in Australia is undergoing extensive reform under the umbrella of the Council of Australian Governments (COAG). In this context the NSW Groundwater Quantity Management Policy and the Regional groundwater strategies has been prepared. The strategies will guide the actions of regional resource managers in their management of activities that can impact on groundwater. Additionally, the strategy clarifies the context in which individuals, businesses and others can use this valuable resource. It also seeks to protect the resource for present and future generations. The strategies are designed to meet the following objectives: To achieve efficient, equitable and sustainable use of the States groundwater resources; To prevent, halt, or reverse degradation of the States groundwater and dependent ecosystems; To provide opportunities for development which maximise cultural, social and economic benefits to the community, region, state and nation, within the context of environmental sustainability; and To involve the community in the management of groundwater resources. The single most important long term change will be the active involvement of the community in the management of natural resources as the communities that depend on these resources take responsibility for sustainable levels of extraction. Access to groundwater will be managed within sustainable yield, so that groundwater is available for future generations, and dependent ecological processes remain viable. Sustainable yield has been defined as the long-term average annual recharge to the aquifer, less a portion that is set aside for environmental purposes. The policy is intended to allow groundwater use without compromising the integrity of the aquifer or the surface ecosystems that it supports. Estimates of sustainable yields based on the results of groundwater models will provide information on managing 100

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groundwater resources on a long term sustainable basis. In addition groundwater models will also provide information on the impact of short term extraction in excess of sustainable yields particularly in those periods when surface water resources are fully committed. 4.2 Pumping Scenarios Two long term pumping scenarios were tested in order to examine impacts on the deep aquifers. The first scenario involved pumping of 73 GL per year which is the 1998-2000 pumping rate, and the second scenario was undertaken by reducing pumping at 60 GL per year to better reflect total inputs to the aquifer. The model was then run for a ten year period from 2000 to 2010 using climatic inputs from 1990 to 2000. A comparison of these scenarios are included in figure 5 which shows the change in net storage over time.

Calivil/Renmark net storage for 73 & 60 GL pumping till 2010

Fig. 5: Comparison of the 73 GL and 60 GL pumping scenarios (73 GL dark line, and 60 GL light line) The 60 GL scenario shows that the decrease in net storage over time reduces within 10 years and the curve begins to flatten out. An analysis of the water balance shows that total inputs are exceeding pumping by 12 GL/yr during the last two years. A similar trend is noted for the 73 Gl scenario, however the flattening of the curve is not as pronounced. Total inputs for the 73 Gl scenario are less than the pumping rate by 5 Gl/year during the last two years of simulation, which indicates that should the model be run for a longer period of time say 30 years the total inputs should exceed pumping from the aquifer. As resource managers we need to decide how best to use this information to manage the aquifer system. The key concerns are at what level do we want to manage piezometric heads for the deeper aquifers and what time frames should we allow for the piezometric surface to stabilize.

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0 -100000 -200000 Time (months)

100000

-300000 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010

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pumping 73 GL/yr pumping 60 GL/yr

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5.

CONCLUSIONS

REFERENCES:

Kulatunga N. (1999). "Groundwater resource status, Lower Murray alluvium GMA 016". Groundwater status report No. 4. Land & Water Conservation, Murray Region, 16 p.

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Punthakey JF, Prathapar, SA, Somaratne, NM, Merrick NP, Lawson S, and Williams RM (1996). "Assessing impacts of basin management and environmental change in the Eastern Murray Basin". Journal of Environmental Software - Special Issue: MODSIM 95, Vol. 11. Nos 1-3, pp.135-142. Ross J. (1999). "Sustainable yield estimates for high risk aquifers in NSW". Land & Water Conservation. Draft Report 16p.

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A groundwater model was developed for the Lower Murray region so that it could be used to assist resource managers and the community to better manage the groundwater resources of the region. The model comprises three layers each representing an aquifer corresponding with the Shepparton, Calivil and Renmark system. Layer water balances showed that the major increased groundwater pumping during the calibration period has increased net leakage downward from the shallow to the deeper system. The increase in pumping from the deeper aquifers from an average of 22 GL/yr to 73 GL/yr in 1998-2000 has resulted in a negative net storage of 36 Gl/yr. This has also resulted in sharp declines in piezometric levels in parts of the aquifer where pumping stresses are concentrated. Estimates of sustainable yields based on the results of groundwater models will provide information on managing groundwater resources on a long term sustainable basis. In addition groundwater models will also provide information on the impact of short term extraction in excess of sustainable yields particularly in those periods when surface water resources are fully committed. Based on the 2000-2010 scenarios an initial sustainable yield estimate of 60 GL is proposed with 75 Gl as the 125 percent limit of sustainable yield to meet short term groundwater supply requirements. In the Lower Murray region deep groundwater pumping plays an important role in inducing net leakage downwards and also in reducing upward leakage to the shallow Shepparton aquifer which is experiencing rising water levels due to irrigation recharge, as such it has a positive environmental benefit.

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers 2001,pp.103-114

M. Ramalingam

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1. INTRODUCTION

The traditional management of land and water resources in a watershed should be reviewed periodically to keep pace with the modern methods of resource management. In view of this an attempt has been made to develop a groundwater model for better utilisation of natural resources in a watershed. In this study the Kallar Watershed has been chosen which lies in Tuticorin district, on the Southern part of Tamil Nadu. The above watershed has been divided into grids of 1km X 1km in size and a distributed parameter (mathematical model) for the surface and subsurface systems have been developed. The various inflow components and outflow components and net recharge or discharge to the aquifer has been assessed. They were given as input to the each grid of the groundwater model. The water requirements for the various activities such as agricultural, human, animal population and industrial requirements have been assessed. Similarly the total water available in each micro watershed was assessed through the groundwater model. The analysis of data indicates that out of 81 microwatersheds 6 watersheds were assessed as surplus watersheds and the rest were deficit. From the above analysis it is possible to plan for suitable landuse according to the availability of water to get the maximum benefit. Keywords : Mathematical modelling, Kallar watershed

There is enormous pressure on the limited natural resources due to ever growing population thereby reducing the per capita availability of water resources. The traditional management of land and water Resources in a watershed should be reviewed periodically to keep pace with the modern methods of resource management. Hence there is an urgent need to adopt a holistic approach so as to ensure maximum development of land and water Resources. In view of this an 113

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attempt has been made to develop a groundwater model for better utilisation of natural resources in Kallar watershed located in Tuticorin district in the Southern part of Tamil Nadu. Thus the objective of this study to develop a model for this watershed to assesses the status of watershed by estimating the available surface and groundwater resource by developing various sub models such as rainfall- runoff models and distributed parameter model for the groundwater system. The model formulation and the results obtained from this study are discussed in this paper. 2. FORMULATION OF THE MODEL

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Q= S= CN

The surface runoff from the watershed is computed using the USDA (United State Department Agriculture) SCS (Soil Conservation Service) curve number technique. The SCS curve number (CN) assumes the following rainfall runoff relation (P-Ia)2 1

where Q is the volume of runoff, P is the volume of precipitation, Ia is the initial abstraction which depends upon the type of landuse and the depression storage available in the watershed, S is the maximum potential retention which is computed using the following relation 25400 254 2

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(P-Ia+S) 104

Direct recharge by rainfall is one of the inputs to this aquifer and the magnitude of the recharge depends on the intensity of rainfall over the aquifer and type of soil through which the rainwater infiltrates. The rainfall recharge is computed by subtracting the runoff and evapotranspiration from the measured precipitation.

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A distributed parameter model for the surface and the subsurface (groundwater) systems has been developed. The various inflows such as (a) rainfall recharge, (b) river bed recharge, (c) return flow from irrigation and (d) subsurface inflow have been considered. Similarly the various outflows from the aquifer are (a) extraction for irrigation from wells, (b) extraction of water to meet the requirements of human and animal population, (c) loss due to evapotranspiration of natural vegetation and (d) subsurface outflow. A distributed mathematical model for the groundwater system has been developed. The computations of various entities are briefly discussed below for both surface model and the subsurface model. The various entities involves in the model are briefly discussed below.

Modelling in Hydrogeology

where CN is the curve number and content 254 in the above equations for S in mm and P and Q are also expressed in mm. The CN is computed based on the landuse practice adopted, Hydrological soil groups and AMC (Antecedent Moisture Condition). In this study the runoff was computed using the above equation. The landuse map required for this study is prepared using IRS 1C LISS-III Satellite data. 2.1.2 Evapotranspiration

The potential evapotranspiration (ETo) was computed using the following modified penman equation

(A+!) in which A is the slope of saturation vapor pressure curve at mean temperature in mm of mercury per C, Hn is the net radiation in mm of evaporable water per day, ! is the psychrometric constant (ie) 0.49 mm of mercury per C and Ea is estimated as shown below Ea = 0.35 1+ f(u) (ew ea) 160 4

where is the mean wind velocity in Km / day, f(u) is the weighting factor for day and night wind velocity at different humidity levels (ie.,) 19.875 ew is the saturation vapour pressure at mean temperature in mm of mercury and ea is the actual vapour pressure in air in mm of mercury. The actual evapotranspiration was estimated by multiplying the crop co-efficient. The type of crops are identified from the landuse map prepared using the satellite data. The rainfall recharge for each grid was estimated by subtracting the runoff and evapotranspiration from the precipitation.

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2.2 River Bed Recharge QR = Kvwh

The recharge contribution by the river flowing in the watershed can be assessed using the following equation 5

In which QR is the quantum of river bed recharge, Kv is the vertical permeability, W is the width of the river and h is the depth of water available in the river. Since, sufficient data are not available it is approximated as 20% of the rainfall recharge.

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2.3 Irrigation Return Flow The area which are under cultivation are liable to be recharged by a considerable quantity of irrigated water by return flow. This flow is estimated as 25% of the water extracted from the aquifer for agricultural activities from the field experiment. 2.4 Sub-surface Inflow Across the western boundary of the aquifer, some quantity of subsurface inflow has occurred due to hydraulic gradient. The total subsurface flow across this boundary is distributed along the boundary nodes. Subsurface flow has been estimated using the following equation.

when Q is the quantity of inflow, T is the Transimissivity, I is the hydraulic gradient and B is the width of the aquifer. The width of flow is taken as unit grid width for each node. 2.5 Agricultural extraction

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q1 = Ai [ETo x Kc (P-Pi)] 106

The major extraction taking place in the watershed is for various agricultural activities. From the analysis of pre-monsoon and post monsoon satellite data, the cropped areas have been delineated. By using the cropping pattern statistics, the types of crops grown in the watershed have been assessed. By applying crop water requirements for those crops, the quantum of water required in excess of rainfall from the aquifer for cultivation is arrived at using the following equation 7

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where q 1 is the abstraction of groundwater for irrigation during the month in cubicmetre, Ai is the irrigated area in Sq.Km., ETo is the potential evapotranspiration in metre during the month, P is the rainfall during the month and Pi is the infiltrated rainfall during the month in metres and Kc is the crop co-efficient. Extraction for human and animal population

The volume of water extracted for human and animal population was assigned to each node based on daily per capita consumption. The available village wise population was distributed to the nodes, which are falling in that village. All the study area consists of only rural settlements, the human daily per capita consumption is taken as 45 litters / day and per capita consumption for animal is considered at 25 litters per day as per IS 1172-1974.

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Modelling in Hydrogeology

The loss due to evapotranspiration of Natural vegetation was discussed in para 3.1.2 and the subsurface outflow was computed by adopting the same procedure of estimation of subsurface inflow as discussed in the para 3.4. 2.7 Computation of changes in storage After computing all the inflows and outflows from the system the net recharge or discharge to the aquifer was computed using the following relationship. I~Q = + "Q 8

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Any artifact that can duplicate the working of a system is termed as a model. The behaviour of the physical system can be expressed in terms of algebraic or differential or integral equation in the mathematical formulation. The partial differential equation (Bittinger et al) governing the non steady state three dimensional flow of groundwater in a non homogenous and isotopic aquifer is T h

y + z

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when I equal to total inflow and Q equal to the total outflow from the system and "Q equal to net recharge or discharge or changes in storage to the system. Here all the information were prepared spatially and stored in each layer. Using the ARC/INFO GIS Software, all the layers are overlayed and finally the net recharge to discharge to each node has been computed. The above quantity was computed for each node and given as input to the groundwater model.

S T

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where T is the transmissivity in sq.km/day, h is the head in m, t is the time in day, S is the aquifer storage co-efficient, x, y are the rectangular co-efficients and Qw Net recharge or discharge to the aquifer. Since there is no general solution for the above equation, however numerical solution has been obtained using the finite difference approach. The differentials x and y are approximated by the finite lengths "x and "y respectively and they are small compared to the total area of the aquifer, the discrete model is a reasonable representation of the continuous system. The above model was applied to the study area. 4. APPLICATION OF THE MODEL

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The study area lies between Kovilpatti in the north and Ottapidaram in the South of Tuticorin District, Tamil Nadu. There is a small river called Kallar traversing the basin and the Kallar watershed is bounded by 85500 to 91000 North latitude and 774500 and 781500 east longitude. The area of Kallar Watershed is 650 Sq. Km. and the location is shown in Fig.1. The aquifer area is divided into 1Km X 107

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1Km grids in both along x and y directions. There are 50 columns and 20 rows in the grid. The aquifer is treated as non-homogenous and an isotropic. The finite difference lattice adopted for the study area is shown in the Fig.2.

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Fig. 2 108

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4.1 Delineation of boundary conditions It is well known that the specification of proper boundary conditions is an imperative and important step in the application of numerical models. They clearly distinguish between the two types of boundary conditions the drechetlary conditions the function specified and noiman condition with the gradient of the function specified. For the groundwater flow problems, this corresponds to the specification of the groundwater levels and flow rates. The boundary conditions are incorporated explicitly in the algebraic equation developed in the numerical model and the solution of the same follows as the next step. In the aquifer under study the northern boundary is treated as no flow boundary based on the lithological characteristic of the subsurface formation. The western boundary is considered as flow boundary along with the flow rates as specified. The eastern boundary is the sea through which some meager subsurface underflow occurs. In the absence of satisfactory data on the head or flow condition along the Southern boundary it is treated as flow boundary with unknown head and unknown flows along the boundary. 4.2 Estimation of Aquifer parameters

Pump tests have been conducted in four wells spread over the entire area of aquifer by the State surface and Groundwater Data Centre, Water Resources Organization, (WRO), Govt. of Tamil Nadu. The data are analysed using the double porosity techniques since most part of the aquifers are heterogeneous formation with two different permeable media Barenblatt et al (1960) assessed that any infinitely small volume of rock consists of a large number of porous blocks as well as large number of randomly distributed sized and oriented fissures. Using his hypothesis an attempt has been made in this study and the aquifer parameters were estimated. Based on the pump test data the draw down function (W) and the dimension less time factor (#) are derived together with the aid of the established logarithmic plot using the well function W=4 T1S1/ Q and the dimension less time factor # = 4T t/S1 r2 in which T1 is the transmissivity, S1 is the draw down, Q is the discharge and S1is the storage co-efficient, r is the distance between the pumping well and observation well. The total aquifer area has been divided into four zones based on the field pump test results. The zones have been divided taking into account the columns as divide. The first zone is from column 1 to 15, the second zone is from column 15 to 22, the third zone is from 22 to 40 and the last zone is from 40 to 50 columns. The computed volume of Transmisivity were finally modified by running the PEST module of MODFLOW version 4.2 and the modified parameter values have been used in the model development and final values used in the model is given below in the Table 1. 109

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Table 1 Final value of Transmissivity used in the model Zone Nodes Covering the zone Values of Transmissivity M2/sec. I 01 15 5 X 10-3 II 2 X 10-4 15 22 2 X 10-3 III 22 40 1 X 10-1 IV 40 50 4.3 Data input into the model The various components of inflows such as (i) rainfall recharge, (ii) river bed recharge, (iii) return flow from irrigation, (iv) sub surface inflow and the various outflow quantities such as (i) agricultural extraction, (ii) extraction for population (iii) Evapotranspiration loss due to natural vegetation and (iv) sub surface outflow and also the total inflow and total outflow has been computed for each node and given as input to the groundwater model. 4.4 Calibration of the groundwater model

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The computed and observed value of the groundwater levels for the year 1983 to 1988 has been analysed for the well No.93016 which is situated nearer to the node 6, 47 which has been analysed in detail. A hydrograph has been plotted showing the observed and computed groundwater level for the above well and presented in Fig.3. Similarly the data for the year 1989 to 1992 has been analysed for proving for the same well. The computed groundwater level and the observed groundwater level during the proving phase was also plotted and shown in Fig.4. To illustrate the longitudeal variation in the aquifer between the higher and lower potential a longitutional section of the aquifer levels plotted along the 4th and 10th row of the finite difference lattice. Similarly transverse levels of the aquifer was also plotted. The groundwater contour for the observed and computed groundwater levels for the entire aquifer for Dec 1992 is shown in Fig.5. All the hydrographs and groundwater contour indicated the close agreement between the observed and computed groundwater levels. 4.5 Computation of available water The above watershed has been divided into 81 micro watersheds of having area ranging from 5 to 10 Sq.km. The total quantity of water available in each microwatershed has been assessed by computing the surface runoff and groundwater. The surface water that can be harnessed in each microwatershed by constructing water harvesting structures has been assessed using USDA SCS curve number techniques as discussed in para 3.1.1. As regards to groundwater after calibrating and proving the groundwater model, it is used for assessing the quantity of groundwater available. The model is run for every fortnight and the water level at each grid points are estimated. The microwatershed boundary is super imposed over the finite difference lattice and the spatial distribution of grid points for each microwatershed is assessed. The computed groundwater level in the grid point has been taken and the average groundwater level for the microwatershed is assessed. Knowing the 110

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average groundwater level, porosity and area of the aquifer, the total quantity of groundwater available have been estimated.

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4.6 Assessing the status of watershed The total quantity of water required for each microwatershed for the various activities such as (i) Agricultural requirements, (ii) domestic requirements, (iii) cattle requirements and (iv) industrial requirements has been assessed. The available water in each microwatershed also has been assessed and the status of watershed weather it is surplus or deficit has been assessed. 5. RESULTS

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CONCLUSIONS

The analysis of data indicates that an average build up of 28 Mm3 per year is taking place. The groundwater contour drawn form both computed and observed water level shows a variation of about 20cm. The analysis of data indicates that the average annual groundwater that can be extracted is 136.30 Mm3 and the surface water harvested is 11.35 Mm3 and the total quantity of water hernessable is 147.65 Mm3, where as the required water is much more than this. From the above study it is assessed that 6 Nos. of microwatershed are found to surplus watershed. The analysis of data indicates that in the case of surplus watershed additional area can be brought under irrigation where as in the case of deficit watershed, the existing area under irrigation to be reduced to make the watershed self sufficient.

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The surface water and groundwater available in the entire watershed has been assessed. The min, max and the average quantity of water that can be extracted over the period of ten years (1983 1992) are 2.00, 25.00 and 11.35 Mm3. The average total quantity of water (both surface and subsurface available in the entire watershed was assessed as 147.65 Mm3. With regards to the status of the watershed, analysis of data indicates that 6 Nos. of watershed are assessed as surplus watershed and the balance 75 microwatershed are considered as deficit watershed.

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The following results were obtained form the study. The precipitation is the primary input in the model. The analysis of rainfall-runoff data for ten years (1983 92) indicates that the minimum value of runoff is 18.6mm and the maximum value is 139.56mm. The analysis of data indicates that 83% of the inflow to the aquifer is due to rainfall recharge, 16% is due to irrigation return flow and the balance is contributed by river bed recharge and subsurface inflow. As regards to outflow, the analysis of data indicates that 75% of the extraction from the aquifer is for agricultural activities 26% as loss due to evapotranspiration of natural vegetation and very little extraction for human & animal population. There is a continuous variation in groundwater storage over the period of 1983 to 1992. The annual inflow, outflows and change in storage are presented in Table 2.

Modelling in Hydrogeology

Table-2 :

Outflow Population and animal extraction 605.72 404.41 385.02 307.35 553.59 0.00 351.82 0.00 504.20 0.00 419.81 108.40 0.00 460.50 108.40 0.00 408.31 1.77 108.30 0.00 440.07 346.77 513.47 481.77 460.37 206.09 570.27 188.79 490.99 530.35 323.17 412.00 Evapo transpir ation Subsurface Outflow Total Outflow Total Inflow

Cumulativ e charge in storage Charge in storage

In flow Riverbed recharge Return low from irrigation 0.062 0.061 0.062 0.066 0.066 0.066 0.066 0.060 0.065 0.063 0.063 301.90 213.00 1.77 420.54 1.77 380.62 1.77 78.52 1.77 108.50 460.00 1.77 108.50 96.32 1.77 108.00 0.00 350.00 1.77 108.60 0.00 380.00 1.77 108.40 0.00 403.00 1.77 108.40 0.00 237.00 1.77 108.00 0.00 Sub surface inflow Agricultural extractor

Period

Rainfall recharge

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44.60 100.40 95.00 87.50 24.58 115.00 19.63 95.15 105.14 53.28 74.03 +258.95 -109.06 -104.75 -153.02 +347.20 -1218.45 +315.4 -71.18 -69.85 +85.14 258.95 149.89 45.14 1107.88 239.32 20.87 336.28 265.51 195.25 280.39 Average

1983-84 1.20 0.96 0.78 1.94 0.76 1.50 1.60 1.29 1.97 1.31

560.00

1.06

1984-85

303.00

1985-86

289.00

1986-87

219.00

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527.00

1988-89

236.00

1989-90

483.00

1990-91

323.00

108.60

1991-92

354.00

1992-93

353.00

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Numerical Simulation of Groundwater Flow Regime in a Part of The Lower Palar River Basin, Southern India

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Groundwater is a major source of fresh water. Increasing population growth and concentration in combination with socio-economic progress results in increasing demand for groundwater. This necessitates proper and effective management of available groundwater resources. Groundwater modelling is a powerful management tool which can serve multiple purposes such as providing a framework for organising hydrologic data, quantifying the properties and behaviour of the systems and allowing quantitative prediction of the responses of those systems to externally applied stresses. No other numerical groundwater management tool is as effective as a 3-dimensional groundwater model. Groundwater modelling has been effectively used for management of aquifer systems (Ophori and Toth (1989); Corbet and Bethke (1992); Gomboso et.al (1996); and Gnanasundar and Elango (2000)). Such a study has been attempted here in the lower (eastern) part of the Palar River basin, Tamil Nadu, India. Gupta et.al (1994) have carried out a preliminary work in the upper (western) part of the Palar River basin to study the migration of the 115

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Numerical simulation of groundwater flow is an effective management tool to assess the components of the hydrological processes, understand the hydrodynamics of a basin and provide a mechanistic description of the flow of water in an aquifer. Such a simulation study was carried out in a part of lower Palar River basin, Tamil Nadu, India. The finite difference computer code MODFLOW with Groundwater Modelling System (GMS) as pre and post processor, was used to simulate the groundwater flow in this study. The groundwater flow was simulated in transient state condition. Computed results of groundwater head mimic observed field data. The model can be used as an effective management tool to understand the behaviour of the aquifer system.

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contaminants let into the Palar River from the leather tanneries. However, the eastern part of the area is characterised by enormous amount of groundwater abstraction for the Madras Atomic Power Station (MAPS), industrial, agricultural and domestic purposes. Hence, the present study assumes significance, as groundwater modelling in this part of the basin is necessary for effective management of the system. Thus this study was carried out with the objective of constructing a numerical model and studying the hydrodynamics of the lower Palar River basin. Computer software Groundwater Modelling System (GMS) was used simulate the groundwater flow for this study. This paper describes the preliminary results obtained from an ongoing study. 2. DESCRIPTION OF THE STUDY AREA

The part of the lower Palar River basin, Tamil Nadu, India, considered for this study, is located 75 km south of the Chennai city (formerly Madras) and it covers an area of 392 Km2 (Fig.1). This area is bisected into two halves by the Palar River. This is a seasonal river flowing during the months of November, December and January. Western side of this area is bounded by the Bay of Bengal. This area enjoys sub-tropical monsoon climate with January and February as the dry periods, March to May as summer period, followed by the monsoon period. The southwest monsoon (June to September), the northeast monsoon (October to December) and the transition period supply 40%, 51% and 9% respectively of the total rainfall (1266 mm/year) in the study area. 2.1 Geology

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2.2 Hydrogeology

The study area exhibits varied physiographic features and the elevation ranges from 40 m in the west to sea level in the east. Numerous tanks are present in the depressed parts of the undulating topography of the study area. Geologically, the study area has two district formations as crystalline rocks of Archean age and alluvium of the recent age. These alluvial deposits occur along the present and palaeo Palar River courses. This alluvial is comprised of sand, clay, gravel and sandy clay. The thickness of the alluvium along the sides of the Palar River ranges from 10 to 30 m. Crystalline rocks comprising of charnockites and gneiss form the basement and some exposures are found in the southern part of this area.

The alluvium and weathered crystalline Charnockites function as an aquifer system. Groundwater occurs in unconfined condition in both the alluvial and the underlying weathered rocks.

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Figure 1: Part of Lower Palar River Basin, Southern India 117

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Alluvium occurring as upper layer is characterised by sand, gravel and sandy clay and its thickness ranges from 1m at northern and southern boundaries to 30m along the river. The hydraulic conductivity value of this alluvium ranges from 20 50 (m/day). The transmissivity values range from 200 to 400 m2/day and specific yield value ranges from 0.037 to 0.18(PWD 2000). The lower layer is characterised by weathered crystalline rocks. The thickness of the weathered layer varies from 0 to 7 m. The hydraulic conductivity of this layer ranges from 0.5 to 8 m/day, transmissivity varies from 10 to 80 m2/day (PWD 2000). The pore spaces developed in the weathered rocks along with the overlying alluvium functions as the potential water bearing formations. 3. GROUNDWATER MODELLING

The groundwater flow in the aquifer of the study area was simulated using a finite difference approximation of the three dimensional partial differential equation, (Rushton and Redshaw. (1979)) h ___ Kxx ___ x x h + ___ Kyy ___ y y h + ___ Kzz ___ z z h - W = Ss ___ t

Where,

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This equation describes the groundwater flow under non-equilibrium and anisotrophic medium, provided the principal axes of hydraulic conductivity are aligned with x-y Cartesian Coordinates axes. MODFLOW, a well established, threedimensional finite difference groundwater flow model was used to simulate groundwater flow of this study. The pre and post processor developed by the United States Department of Defence Groundwater Modelling System (GMS), was used to give input data and process the model output. Block-centered finite difference approach was used to solve groundwater flow equation in this model.

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= components of the hydraulic conductivity tensor = potentiometric head = source or sink term, = specific storage = time

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4.

MODEL FORMULATION

The aquifer geometry includes defining the aquifer top, bottom, hydraulic conductivity and specific yield for all the cells. They were mainly derived from the results of pumping tests and borehole logs reported in the PWD (2000). These values were extrapolated for the entire area considering the lithological variations and field study of well sections. The upper alluvial layer reaches the maximum thickness of 30m along the Palar River and a minimum thickness of 1m along the northern boundary of the study area. The thickness of the weathered charnorkite varies from 0 to 7m. In the southern parts of the study area the thickness of the upper alluvial layer vary 0-2m while the lower

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The alluvium thickness along the northern, southern and western part is less than one metre. The flow into the system from these boundaries will be minimal and hence it is considered as no flow boundary (Figure.2). The eastern part of the study area was considered as constant head boundary as it is bounded by the Bay of Bengal. Numerous storage tanks are present in the study area. However, only the flux from Madurantakam tank was considered because it is the only perennial tank. This storage tank is represented by specified variable flux boundary. The Palar River, which flows through the study area, and its contribution, were considered. A flux boundary due to recharge from rainfall and irrigation return was considered at the top of the surface.

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A detailed study of geology, borehole lithology and water level fluctuations in wells has helped to arrive at the conceptual model of the system. As the groundwater levels in the wells penetrating upto the alluvium and the hard rock formation bear the same groundwater head this region was conceptualized as an unconfined aquifer. This unconfined aquifer is divided into two sublayers due to variations in lithology and hydraulic characteristics. Upper layer being the alluvial (sand, sandy clay, clay) and the lower layer being the weathered rocks. The model grid covering 392 km2 of the study area was discretised into 2400 cells with 40 rows and 30 columns, and vertically by 2 layers (Fig. 2). The length of model cells is 900 m along the east-west direction and 500 m along the north- south direction of the study area.

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Fig 2: Model grid pattern and Boundary conditions 120

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weathered layer extends upto 5 to 7 m from the surface. Hydraulic conductivity values used range from 4 to 50 m/day and the specific yield values range from 0.02 to 0.32 depending on the lithology of both the layers. The aquifer top and bottom considered for this study is given in Figure 3.

Top elevation

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Bottom elevation

Groundwater is abstracted for irrigation, Madras Atomic Power Station (MAPS), industries and for domestic purposes. Abstraction for irrigation was estimated based on the landuse pattern (Fig.4). Approximately 210 km2 of the study area is being used for irrigational activity out of which 133 km2 area depends on groundwater. The abstraction rate for this region is calculated by considering water requirement for different kinds of crops. A pumping well located at Panakattuchery (Fig .1) is pumping at the rate of about 3.5 million gallons per day (MGD) for the MAPS (PWD 2000). Abstraction for supply to industries is carried out at Ayapakkam at the 121

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Fig. 3: Aquifer top and bottom

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rate of about 0.75 MGD (CGWB 1998). Another important pumping station located at Valipuram supplies 0.5MGD water to Chennai city outskirts (PWD 2000). Abstraction for domestic purposes in this area is arrived from population and it is about 0.3 MGD.

4.4 Recharge

The recharge in this area varies considerably due to the differences in the landuse pattern, soil type, topography and relief. Rainfall is the principal source of groundwater recharge. A comparison between the monthly rainfall value and consequent variation in groundwater level over a span of 30 years revealed that the groundwater is replenished whenever the monthly rainfall exceeds 60 mm. The recharge amounts derived are given in Table 1. The contribution from Palar River is considered by a constant riverhead of 3 m during the months of flow. The recharge from Madurantakam tank was arrived at the model from the difference between the tank water head and the groundwater head. Table 1 Recharge value incorporated in the model. Rainfall in Recharge in mm/month % 60-100 25 100-200 30 200-300 35 300 and above 40

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5.

MODEL CALIBRATION

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Geology of the area Sand Sandy clay Weathered Charnockite * PWD (2000)

The calibration strategy was to initially vary the best known parameters as little as possible, and vary the poorly known or unknown values the most to achieve the best overall agreement between simulate and observed. The calibration of deterministic groundwater models is often accomplished through a trial and error adjustment of the models input data (aquifer properties, sources and sinks, and boundary and initial conditions) to modify the models output. Steady state model calibration was carried out to minimise the difference between the computed and field water level condition. Hydraulic conductivity values is varied from 20 to 48 m/day for the upper sublayer and 0.5 to 17 m/day for the lower sublayer in order to get a good match of the computed and observed heads (Fig.5). Table 2 shows the initial and calibrated hydraulic conductivity values of the simulated head. The figure indicates that there is a very good match between the calculated and observed water head in most of the wells of the study area. RMS (Root Mean Square) error was minimised to 0.76 m and the mean error was minimised to 0.12 m through numerous trial runs. Under transient state condition the model was simulated for a period of 5 years (1994 to 1998) with stress period of 30 days each. The trial and error process by which calibration of transient model was achieved required several trials until an appropriate set of parameters was obtained which provided a good match between the computed and observed heads over space and time. The hydraulic conductivity values incorporated in the transient model were then modified slightly from those calibrated by the steady state model. Based on the close agreement between measured and computed heads at 29 observation wells throughout the aquifer, the transient models was considered to be calibrated satisfactorily. The sensitivity of the model to an input parameter can be tested by varying only the parameter of interest over a range of values and monitoring the response of the model by determining the root mean square error of the esimulated heads compared to the measured heads. The models sensitivity to changes in transmissivity, pumpage, hydraulic conductivity, and recharge were tested by increasing and decreasing values by a uniform factor.

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Hydraulic conductivity (m/day) Initial * Calibrated 50 46 37 32 8 5 123

Table 2. Initial and calibrated hydraulic conductivity and specific yield of the simulated head. Specific yield Initial* 0.29 0.18 0.02 Calibrated 0.32 0.22 0.03

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Fig. 5: Computed and observed head in steady state calibration 6. RESULTS OF THE SIMULATION

The calibrated model simulates the regional groundwater head, which is compared with the observed data from 29 wells. The predicted regional head distribution in general follows closely, the observed regional groundwater head (Fig. 6). Thus a reasonable match between the computed and observed heads values were obtained in most of the wells. The result of the numerical simulations indicates that there a gradual decline in the groundwater level in the some of the wells. A comparison between the observed and computed head values for the observation well no. 6 and 19 is shown as an example in Figure 7. Mismatch (maximum of 1m) was observed in some observation wells.

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Observed head

well no:6

6 5 4 3 2 1

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0 1994 1995 1996 ye ars

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groundwater head in m( w.r.m.s.l) 15 14 13 12 11 10 1994 1995

Fig. 7: Computed and observed water head in wells no. 6 & 19. 125

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computed observed 1997 1998

w ell no:19

computed observed

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1998

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7.

CONCLUSION

Simulation of groundwater head was carried in a part of the lower Palar River basin, using a finite-difference flow model for better understanding of the aquifer system. The model formulated reasonably predicts groundwater heads similar to the observed trends. Hence, the model can be used as an effective management tool to understand the behaviour of aquifer systems under various stress conditions. However, in order to do this further refinement of this model is necessary with respect to lateral and vertical variations in lithology, which is currently being undertaken. ACKNOWLEDGEMENTS

REFERENCES:

Corbet, D and Bethke, W. E (1992), "Disequilibrium fluid pressures and groundwater flow in western Canada sedimentary basin". J Geophys Res. 97(B5): 7203-7217.

Gomboso, J. Ghassemi, F. and Jakeman, A.J (1996). "Modelling groundwater flow in the Northern Stirling land conservation district western Australia". Ecological Modelling vol.80 pp 169-175.

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Gupta, C.P. Thangarajan, M and Gurunadha Rao, V.V.S (1994). "Preliminary study of groundwater pollution the upper Palar basin and feasibility of mass transport modelling to predict pollution and migration", NGRI. Tech Rep no. 94- GW-168. pp. 45. Ophori.D.U and Toth.J (1989). "Characterisations of groundwater flow by field mapping and numerical simulation, Ross Creek Basin, Alberta, Canada, Groundwater vol. 27 no.2. pp 183-196. PWD (2000). "Groundwater Perspectives A profile of Kancheepuram district", Tamil Nadu. Public Works Department. June pp 1-220. Rushton.K.R and Redshaw.S.C (1979). "Seepage and groundwater flow". John Wiley and Sons Ltd. NY 330 pp. Thangarajan.M, Masie.M, Rana.T, Vincent Uhil, Bakaya.T.B and Gabaako, G.G (2000). "Simulation of arid multi-layered aquifer system to evolve optimal management schemes. A case study in Shashe River valley, Okavango Delta, Botswana". Journal Geological Society of India Vol .55 June 2000 pp.623-648. 126

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Gnanasundar, D and Elango, L. (2000), "Groundwater flow modelling of a coastal aquifer near Chennai city", India. Journal of Indian Water Resources Society Vol.20 no.4 pp162-171

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The authors wish to thank the All India Council for Technical Education (AICTE), New Delhi for Providing the financial assistance to carryout this work. The help rendered by Prof. C. Mohana Doss, Director, Centre for Geoscience and Engineering, Anna University in providing necessary facilities is acknowledged. Water level data provided by the Public Works Department, Tamilnadu is acknowledged.

Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.127-142

Preliminary Numerical Model of The Regional Guaran Aquifer System, South America and Information Management Proposal

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1. INTRODUCTION

Based on such shortcomings, a decision support system is proposed to eventually benefit all organisms, agencies and individuals concerned with the sustainable management of the regional water resources. The system, efficient, powerful, and open, is made up of a database that can be remotely inspected via Internet. It has downloading/uploading capabilities, advanced mechanisms of data searching, filtering, and visualization, and includes dialogue/communication services for those visiting the site. Keywords: regional aquifers, groundwater flow modelling, Guaran Aquifer, information system management

The Guaran Aquifer (16 to 32 S latitude, 47 to 56 W longitude) covers approximately 1.194.000 km2 within the Paran Basin in SE Brazil (839.000 km2), and the eastern portion of the Chaco-Paran Basin (355.000 km2) in Argentina, Paraguay, and Uruguay (Figure 1).

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This paper presents a groundwater modelling effort for the Guaran Aquifer, in which the numerical model is used at the early stages as a methodological tool aimed at testing the various hypotheses regarding the aquifer features and behaviour. The results approximately matched existing data, although highlighting the effect of scarce information and the low reliability on many available data.

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Abstract

Modelling in Hydrogeology

80 10

60

40 10

10

10

30

100

Fig. 1: The Guaran aquifer system (shaded) in South America (Kittl, 2000). More than 15.000.000 people live in this area where the aquifer is increasingly exploited and constitutes the main source of freshwater for urban supply as well as industrial and agricultural uses. Initially, the modelling objective was posed so as to numerically simulate the aquifer dynamics in order to develop a tool for the sustainable management of its water resources. It soon became evident that the information available was scarce and sometimes unreliable as compared to the extension and complex nature of the hydrogeological system. Therefore, a decision was made to use groundwater flow modelling as a way of integrating all available information and testing several hypotheses concerning the aquifer hydraulic behavior. That is the reason why this presentation calls it a preliminary numerical model, although it will be referred hereto as the Guaran Aquifer model out of simplicity. The modelling exercise followed the conventional stages: conceptual model definition to qualitatively describe the main features, numerical structure building up, assessment of the elements of the system to be reproduced, and calibration to select the most appropriate conceptual model. Based on the modelling results, in particular their uncertainties, a decision support system is proposed in order to store and handle all information related to the Guaran 128

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CO Rio Grande do Sul ER 30 International border National border Guaran Aquifer System

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Aquifer. Such a database, that can be inspected and fed via Internet, is conceived as a tool for helping researchers and decision-makers involved in the sustainable management of the Guaran Aquifer. It houses numerical and non-numerical information (climatic variables, hydrological/hydrogeological data, hydrochemical/isotope records, images, texts, etc.), visualization tools (graphs, zooms), provided with downloading/uploading features via Intermet. The progressive enrichment of the database, aside from possessing an intrinsic strategic regional value, may promote a new attitude towards the management of transnational regional water resources. At least two major challenges are in order: (a) to overcome the value given to the information and the unwillingness to release it, and (b) to achieve the adequate level of commitment by all potential users (governments, agencies, research groups, stakeholders). This paper starts by presenting a summary of the geology and hydrogeology setting of the Guaran Aquifer, followed by the proposed conceptual behavioural model. The numerical model is then described, as well as the calibration strategy. Results are discussed, which gives rise to proposing an innovative information management system. It should be mentioned that this initiative matches the scope of the ISARM Program (Internationally Shared Aquifer Resources Management) established by IHPUNESCO, FAO, IAH, and UN-ECE, in that it promotes multidisciplinary studies and detailed knowledge of the scientific, socio-economical, legal, environmental, and institutional aspects related to groundwater resources internationally owned and shared. In that sense, the data base/Internet proposed for the Guaran Aquifer System can easily be implemented for any hydrological basin not only touching upon groundwater issues but also incorporating the existing water surface network, being transnational or not.

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1.1 Geographical setting, geology and hydrogeology With a known extent close to 1.200.000 km2, the Guaran Aquifer System (GAS) is one of the worlds largest freshwater subterranean reservoirs. It is located in South America, covering part of the national territories of Argentina, Brazil, Paraguay, and Uruguay (Figure 1). The geological and hydrogeological characteristics of such a large groundwater reservoir can be found in Almeida (1983), Arajo et al. (1995 and 1999), Kittl (2000), Lavina (1991), Rebouas (1976), and Vives et al. (2000), among others, and only a brief summary is offered below. The study area is within the South American Platform, a basin of tectonic origin that may reach a sedimentary thickness of about 5.000 m along the western Sao Paulo State (Brazil). A massive tectonic activity at the end of the Jurassic, mainly along 129

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the NNE and the NW directions, produced numerous faults and folds. At the same time, alkaline-type magmatic events gave rise to dikes and sills of relevant magnitude (Almeida, 1983). The aquifer is in Permian-Cretacic sandstones, covered on at least 90% of its known surface extent by Jurassic-Cretacic basalts of varying degrees of fracturing/fissuring. Such sandstones range in thickness from few meters to more than 800 meters (in Ro Grande Do Sul, Brazil), and can be found in the surface (outcrops) to a depth of more than 2.200 m in the center of the basin. It is basically a confined aquifer, and its main source of recharge is infiltrating rainfall in those places where the basaltic cover is not present. The groundwater flow is from the North-East to the SouthWest, with waters that incorporate solutes along the flow direction. The aquifer is made up of red , fine to medium quartz sandstones, with grains well selected which incorporate progressive proportions of clay with depth (Lavina, 1991). Overlying the aquifer (Figure 2),

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the basalts of the Serra Geral Formation show variable degrees of fracturing, which locally makes the system to behave as aquitard or aquiclude. These basalts are confined to the north by the Bauru Formation. Finally, the Piramboia Formation constitutes the base of the whole aquifer system. In those areas where the system behaves as a water-table aquifer (direct recharge), waters have the following characteristics: temperature between 22 and 27 C, pH between 5,4 and 9,2, total dissolved solids less or around 50 mg/l (calciumbicarbonate type, followed by calcium-magnesium bicarbonate waters). Where the 130

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aquifer is confined, water temperature varies between 22 and 58,7 C, pH between 6,3 and 9,8, and the total dissolved solids between 50 and 500 mg/l (calcium bicarbonate and sodium bicarbonate types, followed by sodium sulfate-chloride waters). Due to the ample range in latitude and the various relief types, the regional climate is varied. According to 1931-1960 records, the mean annual rainfall is between 1.000 and 2.400 mm, the mean annual temperature is around 20 C, the mean annual evaporation is from 650 to 1.100 mm, and the evapotranspiration ranges from 882 to 1.071 mm/year (Rebouas, 1976). 2. CONCEPTUAL MODEL

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There are structural alignments (aulacogens) that affect the groundwater flow: in some areas they behave as preferential flow paths (similar to fractures), whereas in others the effect is that of permeability anisotropy (less dense fractures and uneven spatial distribution). The main entrance of water to the aquifer is recharge by direct infiltration in Brazilian territory, spatially distributed along the outcrops in the States of Sao Paulo, Goias, Mato Grosso do Sul, Paran, and Santa Catarina. Natural discharge areas are the plain regions and wetlands between the Uruguay and Paran Rivers, the southern and eastern sectors of Porto Alegre, and along the Paran, Pelotas, and Tiet Rivers (related to structural alignments). Another discharge area is the heavy pumping in the center-western region of Sao Paulo State, with evident signs of overexploitation around the Ribeirao Preto City.

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The conceptual model was defined by extrapolating to a regional scale the preliminary hydraulic behavior proposed by Campos (1998) for the Sao Paulo State. It is conceived as a confined unit (mainly sandstones) with a hydraulic conductivity ranging between 0,2 to 4,6 m/d, that decreases with depth because of the increasing proportion of clays in the sediments. The Bauru and Serra Geral Formations constitute the aquifer top, while its base is limited by the Passa Dois, Tubarao and Pre-Cambric Formations.

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The area modelled covers 902.636 km2 in Brazil, Paraguay and Argentina, and belongs to the Paran hydrological basin. Due to the low density of data and the scarce knowledge on their hydrogeological features, the south-western portion of the system was not taken into account. Thus, the model has the following boundaries: outcrops of the Guaran sediments (S, E, and W), discharge area in the region close to Torres City (SE), the first Cenozoic outcrops (SW), and the region where the aquifer forms a wedge between the Serra Gearl aquifer and the Passa Dois aquitard (N).

Modelling in Hydrogeology

3.

The flow model addresses only the Guaran Aquifer, without regarding the confining Formations (Serra Geral and Bauru). The regime is steady state, and the grid is 2-D finite elements. The coordinates are UTM and the units are homogeneous all through (meters and days). The code used is TRANSIN II (Medina et al., 1996), which is able to simulate water flow and solute transport. A premier advantage of this code is that it allows the automatic calibration of all flow and transport parameters, from measured values of groundwater levels and solute concentrations. The automatic calibration, based in solving what is known as the inverse problem, is achieved through statistical methods that maximize the likelyhood of the estimation errors (Carrera and Neuman, 1986). Data pre-processing and post-processing used the INTRANSIN-III code (Vives, 1994). The finite-elements grid was automatically generated. The discretization is larger (i.e., finer) in those areas where the hydraulic gradient is higher and/or where the data density allows so (e.g., north-eastern portion of the model, see Figure 3). The basic grid has been modified along the structural alignments by superimposing 1-D elements to connect the nodes (edges of the triangular elements), so that the preferential flow paths can be explicitly modelled. The study area was divide up into 14 zones of different transmissivity and 6 zones of varying permeability (Figure 3). The transmissivity discretization allows the simulation of the structural alignments (preferential flow paths), whereas the permeability zoning can simulate the effect of secondary (weak) fracturing. The anisotropy tensor is oriented NNE-SSW and its components, according to the area treated, were between 1 and 24 m/d. For the preferential flow regions, the width was taken into account and its permeability estimated between 10 to 50 m/d. Permeability and transmissivity values are modified at each element by means of a coefficient that considers the spatial variation of the aquifer thickness and the changes in water viscosity due to varying temperatures at depth (Schneebeli, 1966). The areal recharge, accounted for in the elements, considered 7 zones (Figure 3), and is defined as an amount of water entering or exiting the zone. Recharge, as given by the model, is the difference between the water entering from rainfall or recharge from the overlying aquifers and that extracted by well pumping. The infiltration from precipitations in the Guaran Aquifer outcrops was estimated in 10% of the rainfall (Rebouas, 1976), given that the mean annual precipitation in the region varies between 1.300 and 1.800 mm.

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More than two decades ago an overexploitation area in the Ribeirao Preto (Sao Paulo, Brasil) has been identified, with discharges in the order of de 45 x 106 m3/ao (Gilboa et al., 1976). Chemical and isotope studies on the Guaran and Bauru Aquifers (Kimmelmann et al., 1996) have shown that the water pumped out does not belong to a single aquifer, most probably due to the heavy pumping rate. Some sparse data indicate that shallow waters migrate downwards and get mixed with thermal waters. As for the rest of Sao Paulo State (Campos y Cern-Garcia, 1998) groundwater is extracted from about 1.000 wells reaching the aquifer where the basalt cover is thinner. Most discharges are in the range of 3 and 28 l/s, although there are wells with depths close to 1.000 m and discharge rates between 80 and 170 l/s.

Fixed groundwater level at the west (Paraguay and outcrops of Cenozoic sediments in Argentina), south (Guaran outcrops), and south-east (Torres City zone). Fixed discharge to the east (outcrops of the Guaran Aquifer in the Mato Grosso do Sul, Paran, and Santa Catarina States, where the recharge by rainfall is simulated. Mixed conditions to the north, where the aquifer dissapears as a wedge.

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4.

The measured levels in 74 observation points (Figure 3) were used at the calibration stage. Those points were selected so as to have a homogeneous spatial coverage and to be compatible with the information provided by Arajo et. al (1999). Some of the measurements are not reliable: measuring dates do not match, the filtering section of wells is larger than the aquifer thickness (meaning that the overlying basalt has no casing), partially penetrating wells (probably avoiding the clay-rich sediments), uncertainties on the static water level readings, etc. Therefore, weighting coefficients were used to value selectively the information for the wells. CALIBRATION STRATEGY AND RESULTS

The calibration step consists of estimating the model parameters in such a way that the computed levels match the actual measurements. Aside from that, the calculated parameters are to be coherent with their previous estimation and the conceptual model. The first objective of the calibration phase was posed as to reproduce as closely as possible the existing groundwater contour levels. That allowed the modification of the conceptual model in order to minimize the effect of some initial uncertainties

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The boundary conditions are shown in Figure 3, which basically considered the groundwater contour map by Arajo et al. (1999):

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(e.g., the need to include the structural alignments, and the consideration of anisotropic permeability zones). The results were acceptable and in accordance with the objectives pursued. Figure 4 shows that the computed groundwater level contours reproduce qualitatively the measured data.

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It can also be observed that the groundwater flow is influenced by the local entity of the structural alignments, as well as the recharges (specially in the Sao Paulo State zone). The south-eastern portion of the model is not well adjusted, because of the scarce data available in that region and the higher level of subjectivity in drawing the contours. Except for the recharge, the calculated parameters are coherent with the conceptual model proposed and the previous estimations. The permeability values initially estimated do not differ much from those finally computed, in the sense that they are in the same order of magnitude and keep the same anisotropy relationship. The transmissivity values for the structural alignments have a greater degree of uncertainty because, in their previous estimation, the width of the elements had to be calculated but not counting on information about their permeability. The recharge in the outcroppings areas of the Guaran Aquifer (R2, R5, and R6) are smaller that previously assumed, which may be the result of an overestimation of the infiltration 135

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and/or an underestimation of the water being pumped. Diminishing recharge rates in the R4 zone is to be expected because the exploitation affects the overlying formations, thereby making the Guaran Aquifer to supply water from its storage. The overexploitation at Ribeirao Preto (R7 zone) seems to be larger that what had been previously thought and merits special treatment in future models. It is important to highlight that the success of any modelling effort is strictly related to the quality, density and reliability of the available data. As applied to the Guaran Aquifer, then, the main limitations have been: uneven distribution and low reliability on data from observation points, incomplete knowledge of the groundwater pumping volumes, scarce information about the aquifer hydraulic properties, lack of detailed studies on recharge from rainfall, disregard of the chemical information as related to groundwater flow, and the exclusion of the overlying aquifers (Bauru and Serra Geral). According to what has been presented up to this point, any attempt to assess the water resources potential of this giant aquifer may not have a good onset as long as the shortcomings pointed out in the paragraph above remain. In essence, the problem has been posed as to how effectively collect, store, and disseminate the information relevant to the Guaran Aquifer System (GAS) knowledge in order to face realistically its management. The IHP-UNESCO thought of some kind of decisionsupport system, driven by a large, well-structured database, and accessible in a remote way (via Internet), and decided to sponsor a pilot project with that objective in mind. The partial results emerging from the initial one-year trial period will be presented below. 5. COMPREHENSIVE DATABASE, REMOTELY ACCESSED

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USUARIO

It has been designed to be used as a decision support system, with capabilities of storing all data related to the GAS, accessible via Internet in a restricted or total way by all users in the system (Figure 5).

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Base de Datos

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The internal check distinguishes two types of users: member and public. Members, once cleared up by the system, may enter new data and become owners of such information. Data owners assign the level of data availability, which may be private, protected, or open. In that way, the research groups will decide which information they want to share with other groups, keeping some data unavailable for their own purposes (processing, filtering), and let some other data be freely released. This scheme allows data loading in real time and does not depend on the location of the eventual new data provider. The database stores and organizes the information, and the web page allows its use by any person with Internet connection. In order to make easier and more efficient the database exploitation, a set of visualization and consultation tools were developed and embedded in the web page. 5.1 Database structure

The database contains different levels of information, from general to particular issues, including climatic, geologic, hydrologic, hydrogeology, water quality, etc. aspects. Its main features are: Stores all information related to the GAS, i.e., numerical data, pictures, satellite images, documents, contact names and addresses, links, etc. Incorporates engines for data consultation: images or documents finder, numerical data viewer and processing, data filtering. Clears the users status (member, public) and allows (user/password) the distinction of the data availability level. Counts on a mechanism for massive data uploading from text format files (for normalizing the database internal structure).

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Easy and fluid navigation, oriented to non-experienced users. Member and public users levels handling. Interface between users and data, allowing information search, downloading and filtering, as well as data presentation in various manners (raw data, 2D and 3D graphs). Multilingual switchable presentation (initially in Spanish, Portuguese, and English). A critical factor is the communication speed, which is basically determined by the delay time. The line delay is unavoidable because it depends on the Internet-connection providers and the bandwidth selected for the site server. The response time delay can be optimized using specific site architectural features, such as Enterprise Java Beans, and a DBMS (database management system) of well-proven characteristics.

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5.3 Consultation and visualization session Some basic data were predefined and data processors were made operative in order to test the site behavior, although it should be said that many of them will have to be modified and new possibilities will have to be considered. As an example, hydrochemical data were loaded and their processing will be shown below in the format of an eventual consultation session: Selection of sites where the user wants to find out the information available (Figure 6). Upload of new information (database enrichment): numerical data (through windows or preset tables), images, texts, videos, etc. Scatter X-Y graphs, provided with a simple toolbar. Two-dimensional graphs with zooming capabilities: maps, distribution of monitoring points, distribution of selected parameters, maps superposition (layering), with a simple toolbar. Isovalue maps drawing is an option not implemented at this development phase.

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Figure 6. Graphical selection of the domain from which the information will be retrieved. 138

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Images or pictures: visualization by means of a toolbar (zoom, cut and paste, etc. (Figure 7).

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Figure 7. Screens of Images. With a click the user has the option of downloading the file to his computer. Chemical analyses diagrams: column type or Collins , triangular or Piper, Schoeller-Berkaloff. Basic statistics on grouped data: mean, standard deviation, regression indices, correlation, etc. Information retrieval: filters for selecting data, e.g., based on time span, location, etc. Bibliography: viewer, search within a text, authors, etc. 139

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Users/institutions: list of individuals and involved organisms with contact information (address, email, etc). News: dedicated place for managers and users to transmit news, send comments/questions, etc.

5.4 Choice of technological framework The selection of the development technology is a crucial step in the life of any project of this type. Many aspects depend on the decision, such as the application design, the working plan, the application portability, its future maintenance/updating, and the possibility of shortening the development phase.

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CONCLUSIONS

In that sense, it seems reasonable to think of the GAS as a system to be modelled as a multi-layer or 3-D aquifer (that is, Bauru, Serra Geral, Guaran Aquifers, and Passa Dois Aquitard), based on the existing hydrogeological cartography and including the structural alignments that affect the groundwater flow. More observation points are clearly needed as well as updated data on water use (pumping rates), direct infiltration rates, and aquifer hydraulic parameters from pumping tests. A decision-support system is presented in order to integrate all available hydrological information, for the benefit of agencies or organisms involved in the sustainable management of such a valuable regional water resource. This tool, efficient, powerful, and open for consultation, consists of a comprehensive database that can be inspected remotely via Internet. Data can be downloaded and, given proper authorization, the information can also be uploaded for sharing purposes. It counts with advanced mechanisms for information searching and filtering, as well as visual applications for raw data and maps, and communication capabilities. 140

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The preliminary numerical groundwater flow model proposed matches quite approximately the information available and reproduces qualitatively an existing data-field drawn contour map. The methodology employed claims for the integration of all available information keeping in mind that the final objective is to unravel the conceptual hydrogeological model. However, the model showed that some limitations will have to be taken into account whenever the time comes to build up a more robust model aiming at reducing uncertainties.

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For the GAS project, there was an initial, long stage in which decisions were made on the basis of what was going to be used and what tools/technology were available. After laying out the objectives and the different alternatives, the following technology was adopted: Oracle database; combination of FLASH, HTML and JavaScript for screens design, to facilitate the users navigation; the JSP technology is of particular usefulness for keeping the dynamics required by the application; and Servlets.

Modelling in Hydrogeology

ACKNOWLEDGEMENTS The authors wish to thank the following institutions: Programa Hidrolgico Internacional (UNESCO, Montevideo), Universidad do Vale do Rio dos Sinos (UNISINOS, Brazil), Universidad Politcnica de Catalua (UPC, Spain), Instituto de Hidrologa de Llanuras (Argentina), Instituto de Sistemas de Tandil (Argentina), Conselho Nacional de Desenvolvimento Cientfico e Tecnolgico (CNPq, Brazil), Departamento de guas e Energia Eltrica (DAEE , Brazil), and Servei Cartogrfic de Catalunya (Spain). REFERENCES:

Arajo, L. M.; Frana, A.B.; Potter, P.E. (1995). "Giant Mercosul aquifer of Brazil, Argentina, Uruguay and Paraguay: hydrogeologic maps of Botucatu, Pirambia, Rosrio do Sul, Buena Vista", Misiones and Tucuaremb Formations. Biblioteca de Cincia e Tecnoligia, Centro Politnico, Curitiba, UFPR/PETROBRS. Arajo, L. M.; Frana, A.B.; Potter, P. (1999). "Hydrogeology of the Mercosul aquifer system in the Paran and Chaco-Paran basins, South America, and comparison with the Navajo-Nugget aquifer system", USA. Hydrogeology Journal, Vol. 7, pp. 317-336

Campos, H.C.N.S. y Cern-Garcia, J.C. (1998). "Algunos aspectos de la hidroqumica del sistema aqfero Botucatu" (Cuenca del Paran, Estado de Sao Paulo, Brasil). Revista Geogaceta. Sociedad Geolgica de Espaa, Vol. 23, pp. 23-25.

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Campos, H.C.N.S. (1999). "Mapa Hidrogeolgico do Aqfero Guaran, escala 1:2.500.000 (indito)". Editado por ISOMAPA Consultoria e Projetos Ltda. (Sao Paulo, Brasil). Campos, H. (2000). "Mapa hidrogeolgico del Acufero Guaran. Proceedings of the 1st Joint World Congress on Groundwater", Fortaleza, Brasil, 15 p. (in CD format). Gilboa, Y.; Mero, F.; Mariano, I.B. (1976). "The Botucatu aquifer of South America, Model of an untapped continental aquifer". Journal of Hydrology, Vol. 29, pp. 165-179. Kimmelmann, A.; Foster, M.; Coelho, R. (1996). Environmental isotope and hydrogeochemical investigation of "Baur and Botucat aquifers, Paran Basin, Brazil. Isotope Investigations in Latin America". IAEA, TECDOC 835, pp. 57-74. Kittl, S., 2000. "Contributions to the knowledge on the stratigraphy and hydrochemical of the giant Guaran Aquifer System", South America. EberhardKarls-Universitt zu Tbingen, Alemania. Master Thesis. 141

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Carrera, J. and Neuman, S. (1986). "Estimation of aquifer parameters under transient and steady state conditions, I, Maximum likelihood method incorporating prior information". Water Resouces Research, Vol. 22, No. 2, pp. 199-210.

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Almeida, F. F .M. (1983). "Relaoes tectnicas das rochas alcalinas Mesozicas da regiao meridional da Plataforma" Sul-Americana. Rev. Brasileira Geocincias, SBG, Vol.13, No.3, pp. 139-158.

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Lavina, E. L., (1991). "Geologia sedimentar e paleogeografia do Neopermiano e o Eotrissico (Intervalo Kazaniano Scythiano) da Bacia do Paran". Porto Alegre, Curso de Ps-Graduao em Geocincias, UFRGS, Tese de Doutorado. Medina, A.; Galarza, G.; Carrera, J. (1996). TRANSIN II. "Fortran code for solving the coupled flow and transport inverse problem in saturated conditions". El Berrocal Project. Characterization and validation of natural radionuclide migration processes under real conditions on the fissured granitic environment. European Commission Contrac n FI2W/CT91/0080. Topical Report 16. ENRESA. Rebouas, A. C., (1976), "Recursos hdricos da Bacia do Paran". So Paulo, Tese de Livre Docncia, IGc/USP, 143p. Schneebeli, G. (1966). "Hidraulique souterraine". Editors Eyrolles, Pars. 362 pp. Vives, L. (1994). Manual del cdigo INTRANSIN III Versin 2.0. "Barcelona, Escuela Tcnica Superior de Caminos", Canales y Puertos de Barcelona, Universidad Politcnica de Catalua. Informe interno. Vives, L., Campos, H., Candela, L., and Guarracino, L. (2000). "Premodelo de flujo del Acufero Guaran". Proceedings of the 1st Joint World Congress on Groundwater, Fortaleza, Brasil, 19 p. (in CD format).

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A.G. Chachadi and J.P. Lobo Ferreira

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1. INTRODUCTION

The continued human interference into the coastal hydrologic system has led to the pollution of the coastal groundwater aquifers by salt water. The groundwater pollution incidents due to salt-water intrusions have increased many folds in the last couple of decades. Generally one comes to know about the groundwater pollution due to saltwater mixing only after the incident has occurred. But experience show that the remediation of the groundwater system, which has undergone salt-water intrusion, is rather difficult and uneconomical in most of the cases. Therefore it is required to develop a methodology to assess and map the probable potential areas of seawater intrusion by standard scientific method. A new method of aquifer vulnerability mapping has been proposed to map and identify potential seawater intrusion areas along the coasts. The method has been derived based mainly on the intrinsic aquifer properties and hence provide time independent measure of aquifer vulnerability of an area to seawater intrusion problems. The proposed method has been validated using case studies in coastal Goa and East Godavari district. Keywords : galdit, aquifer, Goa, vulnerability, pollution.

Every year, 600 billion cubic metres of groundwater are pumped throughout the world. In 1990, two countries extracted more than 40% of this - India with 150 billion cubic metres and USA with 100 billion cubic metres. Groundwater extraction accounts for 32% of the total Indian water production, distributed for agriculture and livestock (89%), drinking (9%), and industry (2%). The share of groundwater in net irrigated areas has risen from one third in 1965/66 to over half at present (Vaidyanathan 1996; Marothia 1997). This is mainly due to improvements in the drilling technology, water lifting from deeper aquifers, and highly subsidised energy supply and loans for minor irrigation works. Besides, the non-availability of 143

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adequate supply of canal water during periods of high demand, long gestation periods of major irrigation projects have compelled the farmers to take up groundwater development. Indian coastal aquifers constitute the second richest groundwater reservoirs after the Indo-Gangetic alluvial plain, which is one of the world's largest fresh groundwater reservoirs. While aquifers along India's West Coast are predominantly of fractured porosity, one finds top alluvial aquifers followed by deeper fractured aquifers on the East Coast. The topography of the East Coast is flat with vast spreads of more than 50 km inland whereas the western coastal stretch is narrow, bounded by high rising mountains (Western Ghats). The East Coast gets about 10 months of rainfall both from the North - East and South -West monsoons, receiving on an average about 1500mm of rain annually. A major portion of the East Coast also experiences periodic cyclonic precipitation each year. The West Coast, on the other hand, receives more than 3000mm of annual rain from only Southwest monsoons from June to September. No cyclonic precipitation is generally witnessed except at Gujarat coast occasionally. Stretching over a length of more than 7000km, the Indian coastline offers an excellent opportunity for agriculture, particularly on the East Coast, which has vast stretches of fertile alluvial soils. The main urban centers and industrial establishments are also crowded along the Indian coast. Coasts are stressed due to industrial activity in Gujarat, Maharashtra, parts of Karnataka, and West Bengal. The coastal stretches of Goa, parts of Karnataka, Orissa, and Kerala are stressed due to tourism activities. Coastal groundwater tracts are under stress due to agricultural/ aquaculture activities and urbanization in Kerala, Tamil Nadu, Andhra Pradesh, and parts of Orissa. The overuse of groundwater along parts of the coastal belts of India for various purposes has affected groundwater quality and quantity. It has led to rapid decline in groundwater levels leading to saltwater incursions and water quality deterioration particularly in parts of Gujarat, Tamil Nadu, Andhra Pradesh, Orissa, and West Bengal. The nine maritime states include Gujarat, Maharastra, Goa, Karnataka, Kerala, Tamil Nadu, Andhra Pradesh, Orissa and West Bengal besides Union Territories of Diu, Daman, Lakshadweep, Pondicherry and Andaman and Nicobar Islands. There are more than 156 districts in these States and Union Territories. 2. PROBLEM DEFINITION

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The concentration of mega cities, industries, harbors, farm cultivation, aquaculture and tourist activities, clubbed with high population density has transformed resource full coastal belts into the resource scarce areas. Both the quality and the quantity of all the natural resources are decreasing day by day along the coasts. The stress on fresh water resources has indeed a matter of great concern. Though all the rivers end up with the sea in the coastal areas the major portion of the utilizable water 144

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resources come from groundwater reservoirs. The continued and unconcerned use of the groundwater in the coastal belts has led to alarming situations in many parts of our country. The continued human interference into the coastal hydrologic system has led to the pollution of the coastal groundwater aquifers by salt water. The groundwater pollution incidents due to salt-water intrusions have increased many folds in the last couple of decades. Generally one comes to know about the groundwater pollution due to saltwater mixing only after the incident has occurred. But experience show that the remediation of the groundwater system, which has undergone salt-water intrusion, is rather difficult and uneconomical in most of the cases. Therefore it is required to develop a methodology to assess and map the probable potential areas of seawater intrusion by standard scientific method. In the present paper a new approach based on four intrinsic hydrogeological parameters, one spatial parameter and one boundary parameter has been proposed to map the potential coastal areas of seawater intrusion. The basic assumption made here is that the seawater mixing into the fresh groundwater is essentially a pollution problem. 3. CONCEPT FOR THE DEFINITION OF GROUNDWATER VULNERABILITY TO POLLUTION

These authors present an analysis of system performance, which focuses on system failure. They define three concepts that provide useful measures of system performance: (1) how likely the system is to fail is measured by its reliability, (2) how quickly the system returns to a satisfactory state once a failure has occurred is expressed by its resiliency, and (3) how severe the likely consequences of failure may be is measured by its vulnerability. This concept of vulnerability defined in the context of system performance may also be used in the context of groundwater pollution due to seawater mixing by replacing "system failure" by "intensity of groundwater pumpage" due to which the seawater mixing takes place. The severity of the consequences is measured in terms of water quality deterioration, regardless of its value as a resource (for example, regardless of whether or not the aquifer is being used for public supply or is given any use at all). It is believed that the most useful definition of vulnerability is one that refers to the intrinsic characteristics of the aquifer, which are relatively static and mostly beyond human control. It is proposed therefore that the groundwater vulnerability to seawater pollution be redefined, in agreement with the conclusions and 145

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Before considering the evaluation of groundwater vulnerability to pollution, it is necessary to define the term vulnerability. The term vulnerability has been defined and used before in the area of water resources, but within the context of system performance evaluation, e.g. the definition given by Hashimoto et al. [1982].

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recommendations of the international conference on "Vulnerability of Soil and Groundwater to Pollutants", held in 1987 in The Netherlands, [Duijvenbooden et al, 1987 and Anderson, et al. 1987], as the sensitivity of groundwater quality to an imposed groundwater pumpage in the coastal belt, which is determined by the intrinsic characteristics of the aquifer. Thus defined, vulnerability is distinct from pollution risk. Pollution risk due to seawater mixing depends not only on vulnerability but also on the existence of significant groundwater pumpage in the proximity of the coast. It is possible to have high aquifer vulnerability but no risk of seawater intrusion, if there is no significant groundwater pumpage in the proximity of the coast; and to have high pollution risk in spite of low vulnerability, if the groundwater pumpage is exceptional. It is important to make clear the distinction between vulnerability and risk. This is because risk of seawater intrusion is determined not only by the intrinsic characteristics of the aquifer, which are relatively static and hardly changeable, but also on the existence of intensive activities of groundwater pumpage along the coast, which are dynamic factors which can in principle be changed and controlled. Considerations on whether a groundwater pollution episode due to seawater mixing will result in a serious threat to groundwater quality and thus to its (already developed, or designated) water supply are not included in the proposed definition of vulnerability. The seriousness of the impact on water use will depend not only on aquifer vulnerability to seawater intrusion but also on the magnitude of the seawater intrusion episode, and the value of the groundwater resource. 4. METHODOLOGY

Hydrogeological conditions and human activities close to the coast mainly affect groundwater pollution due to seawater mixing. There has been no methodology for evaluating the spatial distribution of the seawater intrusion potential, which essentially take into account hydrogeological factors, and allows the seawater intrusion of coastal hydrogeological setting to be systematically evaluated in any selected coastal area where the hydrogeological information is available. Therefore, it is necessary to adopt a mapping system that is simple enough to apply using the data generally available, and yet is capable of making best use of those data in a technically valid and useful way. Some of the systems for aquifer pollution vulnerability evaluation and ranking include a vulnerability index, which is computed from hydrogeological, morphological and other aquifer characteristics in some well-defined way. The adoption of an index has the advantage of, in principle, eliminating or minimising subjectivity in the ranking process. Given the multitude of authors and potential users of vulnerability maps in EEC countries, Lobo-Ferreira and Cabral, 1991 146

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suggested that a vulnerability index be used in the vulnerability ranking performed for European Community maps. Such a standardised index has been adopted in the U.S., Canada and South Africa, and is currently used in those countries. The DRASTIC index, developed by Aller et al. 1987 for the U.S. EPA is one such method. This index has the characteristics of simplicity and usefulness. 5. SUGGESTED SYSTEM OF VULNERABILITY EVALUATION AND RANKING

Inherent in each hydrogeologic setting is the physical characteristics that affect the seawater intrusion potential. The most important mappable factors that control the seawater intrusion are found to be;

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Factors (i) 1. (ii) 2. (iii) 3. (iv) 4. (v) 5. (vi) 6.

A numerical ranking system to assess seawater intrusion potential in hydrogeologic settings has been devised using GALDIT factors. The system contains three significant parts: weights, ranges and ratings. Each GALDIT factor has been evaluated with respect to the other to determine the relative importance of each factor. Each GALDIT factor has been assigned a relative weight ranging from 1 to 4. The most significant factors have weight of 4; the least significant, a weight of 1as shown below: GALDIT weights 1 3 4 2 1 2

Groundwater Occurrence (Aquifer Type) Aquifer Hydraulic Conductivity Depth to Groundwater Level above Sea Distance from the Shore Impact of existing status of Seawater Intrusion Thickness of Aquifer being Mapped

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The acronym GALDIT is formed from the highlighted and underlined letters of the parameters for ease of reference. These factors, in combination, are determined to include the basic requirements needed to assess the general seawater intrusion potential of each hydrogeologic setting. GALDIT factors represent measurable parameters for which data are generally available from a variety of sources without detailed reconnaissance.

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1. 2. 3. 4. 5. 6.

Groundwater Occurrence (aquifer type; unconfined, confined and leaky confined). Aquifer Hydraulic Conductivity. Depth to Groundwater Level above Sea. Distance from the Shore (distance inland perpendicular from shoreline). Impact of existing status of seawater intrusion in the area. Thickness of the aquifer which is being mapped.

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The minimum value of the GALDIT index is therefore 13 and the maximum value is 130. A rating value between 1 and 10 to each parameter are attributed, depending on local conditions. High values correspond to high vulnerability. The attributed values are generally obtained from tables, which give the correspondence between local hydrogeologic characteristics and the parameter value. Next, the local index of vulnerability is computed through multiplication of the value attributed to each parameter (rating) by its relative weight (GALDIT weight), and adding up all six products. The impact of each of the above six parameters on seawater intrusion episode is described in the following paragraphs: (i) Groundwater Occurrence (Aquifer Type) (G): In nature groundwater generally occurs in the geological layers and these layers may be confined, unconfined or leaky confined in nature. This basic nature of groundwater occurrence has an influence on the extent of seawater intrusion. For example an unconfined aquifer under natural conditions would be more affected by seawater intrusion compared to confined aquifer as the confined aquifer is under more than atmospheric pressure. Similarly a confined aquifer may be more prone to seawater intrusion compared to leaky confined aquifer as the leaky confined aquifer maintains minimum hydraulic pressure by way of leakage from adjoining aquifers. Therefore in assigning the relative weights to G one should carefully study the disposition and type of the aquifers in the study area. The ratings generally are; unconfined (9), confined (10) and leaky confined (8). The confined aquifer is more vulnerable due to larger cone of depression and instantaneous release of water to wells during pumping. In case of multiple aquifer system in an area the highest rating may be adopted. For example if an area has all the three aquifers then the rating of 10 of an unconfined aquifer may be chosen. (ii) Aquifer Hydraulic Conductivity (A): The parameter aquifer hydraulic conductivity is used to measure the rate of flow of water in the aquifer. By definition the aquifer hydraulic conductivity is the ability of the aquifer to transmit water. The hydraulic conductivity is the result of the interconnected pores (effective porosity) in the sediments and fractures in the consolidated rocks. The magnitude of seawater front movement is influenced by the hydraulic conductivity. Higher the conductivity higher the inland movements of the seawater front. The high conductivity also results in wider cone of depression during pumping. In this case the user should take into account the hydraulic barriers like clay layers, and impervious dykes parallel to the coast, which may act as walls to seawater intrusion. The typical rating adopted from Aller et. al 1987 are as under; Rating 1 2 4 6 8 10 Hydraulic conductivity range (m/day) 0 - 4.1 4.1 - 12.2 12.2 - 28.5 28.5 - 40.7 40.7 - 81.5 > 81.5 148

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(iii) Depth to Groundwater Level above Sea (L): The level of groundwater with respect to mean sea level is a very important factor in the evaluation of the seawater intrusion in an area primarily because it determines the hydraulic pressure availability to push the seawater front back. As seen from the Ghyben-Herzberg relation, for every meter of fresh water stored above mean sea level, 40 meters of freshwater are stored below it down to the interface. In assigning the ratings to L one should look into the temporal long-term variation of the groundwater levels in the area. Generally the values pertaining to minimum groundwater levels above sea (Premonsoon) may be considered, as this would provide the highest possible vulnerability. The ratings adopted from Aller et. Al 1987 is as under; Ratings 10 9 7 5 3 2 1 Groundwater level above Sea (m) < 1.5 1.5 - 4.6 4.6 - 9.1 9.1 - 15.2 15.2 - 22.9 22.9 - 30.5 > 30.5

(iv) Distance from the Shore (D): The impact of seawater intrusion generally decreases as one moves inland at right angles to the shore. The following table gives the general guidelines for rating assuming the aquifer is under undisturbed conditions;

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(v) Impact of Existing Status of Seawater Intrusion (I): The area under mapping invariably is under stress and this stress has already modified the natural hydraulic balance between seawater and fresh groundwater. This fact should be considered while mapping the aquifer vulnerability to seawater intrusion. The following rating are given to take care of such field situations:

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Rating 10 9 8 7 6 5 4 3 2 149

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Distance from Shore Inland (m) <100 101 - 200 201 - 300 301 - 400 401 - 500 501 - 600 601 - 700 701 - 800 801 - 1000 >1000

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Ratings 10 5 0

Impact Status Area already intruded by seawater in all seasons. Where epm value of the ratio of Cl / (HCO3+CO3) is > 2 Area where seasonal seawater intrusion prevails. Where epm value of the ratio of Cl /(HCO3+CO3) is between 1.5 - 2 Area where no seawater intrusion was witnessed in the past. Where epm value of the ratio of Cl /(HCO3+CO3) is < 1.5

(vi) Thickness of the Aquifer being Mapped (T): Aquifer thickness or saturated thickness of an unconfined aquifer plays an important role in determining the extent and magnitude of seawater intrusion in the coastal areas. It is well established that larger the aquifer thickness smaller the extent of seawater intrusion and vice versa. Keeping this as a guideline the following ratings are given for T: Ratings 10 9 8 7 6 5 4 3 2 1 Aquifer thickness (m) <1 1.1 - 2.0 2.1 - 3.0 3.1 - 4.0 4.1 - 5.0 5.1 - 6.0 6.1 - 7.0 7.1 - 8.0 8.1 - 10.0 > 10.0

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7.

According to the GALDIT method, each of the six parameters has a pre-determined fixed relative weight that reflects its relative importance to vulnerability. When the GALDIT method is adopted, the aquifer vulnerability index to seawater intrusion is obtained by the following expression: GALDIT = 1*G + 3*A + 4*L + 2*D + 1*I + 2*T .. (1)

Thus, the user can use hydrogeologic settings as a mappable unit, define the area of interest by modifying to reflect specific conditions within an area, choose corresponding ratings and calculate a seawater intrusion GALDIT index. This system allows the user to determine a numerical value for any hydrogeological setting by using an additive model. 150

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The information for the above rating can be gathered from historical reports, inquiry from the local people, and chemical analysis data.

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Once the GALDIT index has been computed, it is possible to identify areas, which are more likely to be susceptible to seawater intrusion relative to one another. The higher the index, the greater the seawater intrusion potential. The GALDIT index provides only a relative tool and is not designed to provide absolute answers. It is expected that as the model is an open ended one the application and validation of GALDIT method to case studies would help improve the rating values that are adopted in this paper. 8. APPLICATION OF THE GALDIT MAPPING CASE STUDIES

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The above method has been validated using case studies in the coastal areas of Goa and East Godavari. The GALDIT scores at each of the 57-groundwater monitoring wells were computed for the Goa study area in Bardez taluk (Table 1). These GALDIT values along with the x and y co-ordinates were used in the SURFER package to draw the vulnerability score contour map. The map derived for this study area is given in Fig. 1. The geoelectrical profiles carried out in the study area to determine the seawater intrusions are shown in Fig.2. From this figure and the GALDIT vulnerability map it is seen that the high scores of vulnerability coincides with the saltwater intruded areas, which are indicated by the low electrical resistivity values on the profiles.

GALDIT INDEX MAP

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1200

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Apparent resistivity (Ohm-m 800

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A new method of aquifer vulnerability mapping has been suggested. This method will provide a vulnerability map of coastal groundwater zone due to seawater intrusion. These maps can be used as a tool for management of the coastal groundwater resources. Similar applications can be done on the island aquifers so that optimal management practices can be evolved for groundwater use. The maps can be prepared using GIS or if the area is small, point values of the vulnerability indices can be obtained from equation (1) and then contoured using SURFER to get a vulnerability score map. The point values of index can be used in ascertaining the wellhead protection areas in the coastal belts to prevent seawater pumping. For the cases where the aquifer bottom is above the sea level all GALDIT parameters should be assigned zero values when using the SURFER for preparing the vulnerability maps. This can be taken care in GIS platform by defining the areas having such geological situations as a separate layer. REFERENCES: Andersen, L.J. and Gosk, E. (1987), Applicability of vulnerability maps, in W. van Duijvanbooden and H.G. van Waegeningh (eds.), "Vulnerability of Soil and Groundwater to Pollution", Proceedings and Information No. 38 of the International Conference held in the Netherlands, in 1987, TNO Committee on Hydrological Research, Delft, The Netherlands.

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Aller, L., Bennett, T., Lehr, J.H. and Petty, R. J. (1987), DRASTIC: "a standardized system for evaluating groundwater pollution potential using hydrogeologic settings", U.S. EPA Report 600/2-85/018. Duijvenbooden, W. van and Waegeningh, H.G. van (1987), "Vulnerability of Soil and Groundwater to Pollutants", Proceedings and Information No. 38 of the International Conference held in the Netherlands, in 1987, TNO Committee on Hydrological Research, Delft, The Netherlands. Foster, S.S.D. (1987), Fundamental concepts in aquifer vulnerability, pollution risk and protection strategy, in W. van Duijvanbooden and H.G. van Waegeningh (eds.), "Vulnerability of Soil and Groundwater to Pollution", Proceedings and Information No. 38 of the International Conference held in the Netherlands, in 1987, TNO Committee on Hydrological Research, Delft, The Netherlands. Hashimoto, T., Stedinger, J. R. and Loucks, D. P. (1982), Reliability, Resiliency, and Vulnerability Criteria for Water Resource System Performance Evaluation, "Water Resources Research", 18(1), p14-20. Lobo-Ferreira, J.P. and Cabral, M. (1991) Proposal for an Operational Definition of Vulnerability for the European Community's Atlas of Groundwater Resources, in "Meeting of the European Institute for Water, Groundwater Work Group Brussels", Feb. 1991. Marothia, D.K. 1997. Agricultural technology and environmental quality: an institutional perspective. "Indian Journal of Agricultural Economics" 52(3): 473487.

Vaidyanathan, A. 1996. Depletion of ground water: some issues. "Indian Journal of Agricultural Economics" 51(1-2): 184-192.

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TERI, 1999. Measuring, monitoring, and managing sustainability: the coastal dimension. "First year progress report of the INCO-DC" Project contract No. IC18CT98-0296.

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Table 1: Details of the Galdit Score Computation for Goa Case Study Area Well Parameter G Parameter A Parameter L no Aquifer Type Rating K (m/d) Rating GWL Rating (m) 1 unconfined 9 28.8 6 0.75 10 2 unconfined 9 28.8 6 0.7 10 3 unconfined 9 28.8 6 0.45 10 4 unconfined 9 28.8 6 8.35 7 5 unconfined 9 4.3 2 14.4 5 6 unconfined 9 3.3 1 35.5 1 7 unconfined 9 4.3 2 16.2 3 8 unconfined 9 4.3 2 11.15 5 9 unconfined 9 3.3 1 22.6 3 10 unconfined 9 31.6 6 3.54 9 11 unconfined 9 3.3 1 7.95 7 12 unconfined 9 4.3 2 18.1 3 13 unconfined 9 31.6 6 5.3 7 14 unconfined 9 4.3 2 -1.55 10 15 unconfined 9 31.6 6 3 9 16 unconfined 9 31.6 6 0.3 10 18 unconfined 9 31.6 6 12.65 5 19 unconfined 9 4.3 2 9.5 5 20 unconfined 9 4.3 2 6.2 7 21 unconfined 9 4.3 2 12.05 5 22 unconfined 9 4.3 2 12.25 5 23 unconfined 9 4.3 2 11.2 5 24 unconfined 9 4.3 2 15 5 25 unconfined 9 4.3 2 13.05 5 26 unconfined 9 31.6 6 4.8 7 27 unconfined 9 31.6 6 0.1 10 28 unconfined 9 4.3 2 3.9 9 29 unconfined 9 4.3 2 3.05 9 30 unconfined 9 31.6 6 5.35 7 31 unconfined 9 4.3 2 8.45 7 32 unconfined 9 28.8 6 -0.86 10 33 unconfined 9 28.8 6 5.15 7 34 unconfined 9 4.3 2 2.3 9 35 unconfined 9 4.3 2 8.7 7 Parameter D Dist. Rating (m) 10 10 250 8 20 10 350 7 2500 1 3000 1 3250 1 4500 1 5400 1 550 5 1500 1 1850 1 200 9 2750 1 500 6 1300 1 1900 1 3150 1 3900 1 4100 1 4750 1 3100 1 3000 1 3850 1 600 5 500 6 4500 1 1250 1 300 8 1150 1 350 7 300 8 800 3 1600 1 Parameter I Parameter T Total of Initial Rating Aq. Th Rating GALDIT Condition (m) score intruded 10 10 2 105 not intruded 0 10 2 89 intruded 10 10 2 105 not intruded 0 10 2 74 not intruded 0 12.5 1 46 not intruded 0 12.5 1 20 not intruded 0 12.5 1 30 not intruded 0 12.5 1 38 not intruded 0 12.5 1 28 not intruded 0 10 2 76 not intruded 0 10 2 46 not intruded 0 10 2 32 not intruded 0 10 2 80 not intruded 0 15 1 58 not intruded 0 12.5 1 77 not intruded 0 12.5 1 66 not intruded 0 15 1 46 not intruded 0 15 1 38 not intruded 0 10.5 1 46 not intruded 0 10.5 1 38 not intruded 0 10.5 1 38 not intruded 0 19 1 38 not intruded 0 19 1 38 not intruded 0 19 1 38 not intruded 0 9 2 68 not intruded 0 2.5 8 95 not intruded 0 19 1 54 not intruded 0 10.5 1 54 not intruded 0 5.5 5 83 not intruded 0 10.5 1 46 not intruded 0 10 2 86 not intruded 0 10 2 77 not intruded 0 10 2 62 not intruded 0 10.5 1 46

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Legend:

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GWL Ground Water Level in metres above mean sea level Aq. Th. Aquifer thickness in metres Dist. Distance at right angles from the coast towards inland in metres K hydraulic conductivity of the aquifer in metres per day

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36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 52 53 54 55 56 57 58 59

unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined unconfined

9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9

4.3 4.3 3.3 4.3 3.3 31.6 3.3 4.3 4.3 4.3 4.3 31.6 31.6 31.6 31.6 31.6 31.6 31.6 31.6 4.3 3.3 31.6 3.3

2 2 1 2 1 6 1 2 2 2 2 6 6 6 6 6 6 6 6 2 1 6 1

12.95 0.25 14.05 10.6 24.7 8.75 47.95 10.75 12.75 7.2 3.55 5.5 0.6 10 3.3 9.45 7.85 12.1 9.2 11.2 9.1 2.55 36.9

5 10 5 5 2 7 1 5 5 7 9 7 10 5 9 5 7 5 5 5 5 9 1

2000 1800 3300 4600 2350 1700 2700 3250 4900 4200 3550 1250 400 1050 850 350 400 1700 700 650 75 450 6600

1 1 1 1 1 1 1 1 1 1 1 1 7 1 2 7 7 1 4 4 10 6 1

not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded not intruded intruded not intruded not intruded

0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0

10.5 10.5 12.5 12.5 12.5 12.5 15 15 15 15 15 12.5 12.5 12.5 9 9 9 12.5 12 12 12 12 12.5

1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1

38 58 36 38 24 54 20 38 38 46 54 54 84 46 67 66 74 46 55 47 73 77 20

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.157-168

M.J. Simpson and T.P. Clement

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1. INTRODUCTION

In the simulation of density dependent groundwater flow, an important part of the numerical code development is the validation of the solution against other accepted solutions to standard problems. Making an assessment of the quality of the commonly used validation problems is useful so that the benchmarking process can be focused upon the more thorough test cases. The Henry problem for salt-water intrusion and the Elder salt convection problem are two standard benchmark scenarios analyzed here. These problems are solved in a coupled and uncoupled mode to test their applicability for validation of density coupled codes. The difference in the coupled and uncoupled solutions indicates that the Henry saltwater intrusion problem is a poor example for model evaluation because the dynamics of the flow are largely determined by the boundary forcing. Alternatively the Elder convection problem is more suited to model validation because the flow patterns are completely determined by the internal balance of the pressure and gravity forces. Keywords: groundwater-modelling, density dependent flow model verification

Verification of a density dependent groundwater modeling code is necessary to check the validity of the formulation before it can be applied to real problems. Since the availability of standard solutions for the verification of density dependent formulations is limited, it is important to verify the code with a flow scenario which ensures that the formulation is able to correctly simulate the balance of the pressure and gravity forces which determines density dependent flow.

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Abstract

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2.

2.1 Governing Equations for Density Dependent Groundwater Flow The equations governing the movement of a fluid through a porous medium subject to density gradients are obtained using mass conservation principles (Boufadel, 1999a). In the present case, only two-dimensional (vertical) formulation is considered. The governing equations are cast as a set of two coupled non-linear partial differential equations in terms of the pressure of the fluid (written in terms of the fresh water pressure head) as well as the concentration of a dissolved solute. For the present model, the form of the equations used is,

These equations are coupled through the beta term, which represents the relative difference of the density of the fluid to a reference fresh water fluid,

# = # 0 ! = # 0 1 + "C *

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Where is the porosity of the porous medium, is the ratio of the fluid density to a reference freshwater density, K [LT-1] is the hydraulic conductivity of the porous medium, [L] is the pressure head, C [ML-3] is the concentration of the dissolved solute, Di [L2T-1] is the dispersion coefficient in the ith Cartesian direction and Vi [LT-1] is the velocity of the fluid in the ith Cartesian direction.

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Where [ML-3] is the density of the fluid, o [ML-3] is the density of freshwater, is a measure of the difference between the maximum density and freshwater density, and C* is the non-dimensionalised concentration of the dissolved solute

The solution of the coupled equations is sought using the Galerkin finite element technique where the domain is discretised into simple linear triangular elements. The coupling iterations are repeatedly performed within each time step until the maximum change in pressure and concentration converges to within some tolerance criterion. The solution also encompasses the calculation of the transient velocity field, which was achieved using the approach espoused by Yeh (1981) ensuring that the velocity is continuous along element boundaries. The discrete equations are solved using a banded LU decomposition algorithm. Time weighting of the

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advection dispersion equation is allowed in the formulation, however for the present work a simple fully implicit weighting was used. The concept of mass lumping was invoked in the temporal discretization of both the flow and transport equations. Further details of the numerical solution are discussed in Simpson and Clement (2001). 3. COUPLED FLOW AND TRANSPORT

3.1 Henry's Saltwater Intrusion Problem In general, variable density models are always verified by solving the well-known Henry's saltwater intrusion problem (Henry, 1964). Henry's problem is unique because an analytical solution exists for the problem, however even after almost 40 years no numerical model has been able to completely replicate the proposed analytical solution. The historical analysis of Henry's problem is quite well studied, and a comprehensive discussion of the developments, mistakes, and conceptions about the problem may be found in Croucher and OSullivan (1995). The problem consists of a confined aquifer, which has fresh water discharging horizontally into an open sea boundary. The boundary conditions for the flow and transport equation are shown in Figure 1.0.

100

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Fig. 1: Domain and boundary conditions imposed for the Henry saltwater intrusion problem.

The aquifer was regularly discretised into 231 nodes and 400 right-angled triangles. The aquifer properties are shown in Table 1.0

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q z = 0.0 z

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= (1 + C )(H z )

= (1 + C )(H z )

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Table 1.0: Aquifer properties associated with Henry's saltwater intrusion problem. SYMBOL Dx, Dz G K Q

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Frind (1982)

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The time step for the simulation was gradually increased by a factor of 1.1 from 12 seconds to 600 seconds and a constant diffusion coefficient was used for the transport equation. The coupling between the flow and transport equation was considered complete when the maximum change in pressure head was 0.005m within each time step. For the most part of the simulation, this was achieved within 2 iterations of the coupling loop. When the problem was resolved using a simple updating scheme without the coupling loop, the results were identical to those obtained using the coupling approach. The model was run for 280 minutes, after which the density field was stationary and the position of the 0.5 isochlor was obtained. The position of the 0.5 isochlor is shown in Figure 2.0. The comparison of the profile with that generated by Frind (1982) shows that the present model is capable of describing the dynamics of the problem.

Fig. 2: Position of the steady isochlors for the Henry saltwater intrusion problem.

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QUANTITY Coefficient of molecular diffusion Vector of acceleration due to gravity Hydraulic Conductivity Fresh recharge rate Maximum density ratio Porosity Reference Density Brine Density

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3.2 Elder's Salt Convection Problem The original problem studied by Elder (1967) concerned a closed rectangular box modeled in cross section. The flow was initiated by a temperature gradient across the box and thermally induced density gradients caused a complex pattern of fingering of the denser water mixing in through the box. This problem was studied both physically in the laboratory with the use of a Hele-Shaw cell as well as being numerically reproduced. A modified problem with parameters suited to porous media flow was also developed by Elder (1967) and is a commonly used test of the ability to simulate larger scale bulk fluid flow driven purely from density differences. The boundary conditions on the domain are shown in Figure 3.0. Table 2.0 defines the aquifer properties for the Elder problem,

C = 0 .0 z

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Fig. 3: Domain and boundary conditions for the modified Elder salt convection problem

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Table 2.0: Aquifer and transport properties used for the Elder fingering simulation. QUANTITY Coefficient of molecular diffusion Vector of acceleration due to gravity Intrinsic permeability Maximum density ratio Porosity Dynamic viscosity Reference Density Brine Density VALUE 3.56510-6 9.80 4.84510-13 1.2 0.2 110-3 1000 1200 UNIT m2s-1 ms-2 m2 kgm-1s-1 kgm-3 kgm-3

The key difference between this problem and the Henry saltwater intrusion analysis is the magnitude of the density ratio. For the Elder problem the maximum value of is 1.2, which has a significant impact upon the coupling. The discretization of the problem consists of a regular grid comprising 3000 nodes (100 horizontally, 30 vertically) and 6000 right-angled triangular elements. The temporal discretization used time steps of one month; the iterative coupling was conducted until the maximum pressure change observed in the entire domain between iterations is

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0.005m. Typically, this convergence criterion required either 3 or 4 iterations for the most part of the simulation. The distribution of the 0.2 and 0.6 isochlor after 1, 2, 4 and 10 years generated by the present model are shown in Figure 4.0. These plots show the generation of a complicated flow pattern with time. The flow field develops into a series of transient vortices, which spread the solute through both advection and diffusion. As was expected, the distribution of lobes of dense fluid is symmetric about the centerline of the box. Figure 5.0 shows a portion of the velocity field obtained after 10 hours of simulation, the velocity field clearly shows the swirling pattern of the fluid caused by the position of the solute. Similar to the Henry problem, there are several published numerical results for the Elder salt convection problem, and the solutions are dramatically different depending upon the numerical discretization and level of modeling sophistication chosen (Kolditz et al. 1998). The present model captures the essential features of the fluid flow and the predicted profiles are similar to those reported in the literature (Boufadel et al. 1999b, Kolditz et al. 1998, Oldenburg and Pruess 1995, Voss and Souza 1987)

150 ) m ( n o i t a v e l E 100 50 0

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Fig.4: Evolution of the fingering pattern shown by the 20% and 60% concentration profiles for the modified Elder problem after 1, 2, 4 and 10 years.

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150

) m ( n o i t a v e l E

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50

50

100

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250

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Fig. 5: Half of the concentration field superimposed upon the flow field for the modified Elder problem after 10 hours. The solution to Elder's problem may be hindered by the presence of some asymmetry in the results. This was explained by Boufadel et al. (1999b) who encountered the same problem. The asymmetry is caused by the use of triangular elements. When the diagonal of the elements is aligned in the same direction causes an asymmetrical grid which when coupled with the way the buoyancy force is represented causes the results to be skewed. The reason why Voss and Souza (1987) did not report this in their previous investigations because they used rectangular elements to discretize the domain, and of course this is a symmetrical discretization and so the problem was not present. To achieve a good symmetrical result with the triangular mesh, a fine level of discretisation is required to dampen the asymmetry. 4. UNCOUPLED FLOW AND TRANSPORT

In order to assess the quality of both the Henry and the Elder problems for the evaluation of the consistency of a density dependent algorithm, the numerical experiments were repeated, but in this case the coupling of the flow and transport equations was ignored. In effect, the same problem was resolved, but the value of in both the flow and transport equation was fixed at 1.0. The results from the analysis of the solutions obtained from the uncoupling of the flow and transport equations enable the sensitivity to coupling to be analyzed. 4.1 Henry's Saltwater Intrusion Problem To investigate the solution of Henry's problem without the coupling, the value of was fixed at a value of 1.0 for the solution of the fluid flow, fluid velocity and solute transport formulations. Everything else in the analysis was left the same; the simulation was performed for the same amount of time, after which the concentration field was steady. The position of the 0.5 isochlor after this simulation

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was measured and compared against that of the coupled solution in Figure 6.0. The comparison shows that the position of the intruded saline water was similar to that observed for the coupled solution.

U n c o u p le d S o lu tio n C o u p le d S olu tio n F rin d (1 9 8 2 ) 0 .5

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1 80

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Fig. 6: Comparison of the coupled and uncoupled Henry solution. Figures 7.0 and 8.0 show the velocity fields for the Henry problem under the coupled and uncoupled conditions respectively. A comparison of the velocity fields predicted with the coupled and uncoupled modes reveals some interesting results. The coupled velocity field shows that the horizontal velocities associated with the heavier saline water intrudes into the aquifer much further than for the uncoupled situation. However, the two patterns are largely the same, with a constant inflow along the freshwater side and a vertically distributed inflow along the base of the seaward side. The inflow converges in the middle of the aquifer and rises and exits above the seawater boundary. This similarity means that the actual component of flow, which is due to the interaction of the variably dense fluid and its mixing with the lighter fluid is not completely responsible for this flow pattern.

Elevation (cm)

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Fig. 7: Velocity field for the Henry problem under coupled conditions.

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Fig. 8: Velocity field for the Henry problem under uncoupled conditions. In fact the flow pattern is mostly determined by the imposed boundary conditions. The implications of this observation are that if a variable density code is used to simulate the Henry problem and there is some internal inconsistency in the coupling of the equations then the predicted distribution of the salt concentrations may still appear similar to the true solution. This problem may also be compounded by the establishment of a paradigm amongst the density dependent modelers in the way that the results are presented. Typically in the solution of the Henry problem, the analyst presents the distribution of the isochlors, (for example Galeati et al. 1992, Kolditz et al. 1998, Boufadel et al. 1999a). Obviously it is a necessary condition that for the internal consistency of the model to be validated that the isochlors be comparable to those from previous work, but it is not sufficient to claim that the problem has been solved correctly simply because the isochlor positions are comparable. The analysis of the internal velocity field for the problem as well as the position of the isochlor gives a higher degree of confidence as this provides a check against the intuitive physical processes occurring within the aquifer. This is particularly relevant to the Henry problem, as even after 40 years of analysis, there are several solutions available, which are similar but are not completely uniform. Therefore it is probable that an erroneous solution could appear to be similar to other solutions available in the literature. Therefore the velocity field should also be used as a qualitative check that the correctness of the internal mixing environment within the aquifer before the solution is deemed satisfactory. 4.2 Modified Elder Salt Convection Problem The analysis of the uncoupled salt convection problem is quite straightforward. Since the boundary conditions for the flow equation describe a closed aquifer, then the only mechanism to initiate the flow is through the diffusion of the salt into the porous medium. The results for the modified Elder problem are shown in Figure 9.0. The profiles show a simple diffusion pattern, which is expected since the fluid 165

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is stationary. However, since the presence of the solute is assumed not to have any impact upon the flow, the fluid remains stationary for the entire simulation period and there is absolutely no convection within the aquifer. This profile in comparison to that obtained under full coupling show that the correct solution is completely dependent upon a correct numerical representation of the increased body force due to the heavier fluid in the aquifer. 5. DISCUSSION

The results from this analysis show some clear points of distinction between the Henry saltwater intrusion problem and the modified Elder convection problem. The comparison of the coupled and uncoupled results for the Henry problem generates quantitatively similar profiles in both the flow field and the solute field. This means that the patterns observed are largely due to the boundary forcing and not because of the density coupling.

150 ) m ( n o i t a v e l E 100 50 0

100

200

L.

0 0 100 200 300 Length (m) 400

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150 100 50 0 ) m ( n o i t a v e l E

600 500

Fig. 9: Evolution of the uncoupled solute distribution shown by the 20% and 60% concentration profiles for the modified Elder problem after 1, 2, 4 and 10 years.

The comparison of the coupled and uncoupled Elder problem results show a totally different flow scenario which indicates that the correct solution is completely dependent upon the correct numerical coupling of the equations. This means that in the verification of a density dependent code, that the Elder problem should be the focus of the verification study rather than the Henry problem.

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150 100 ) m ( n o i t a v e l E 50 400 500 600 0 0 100 200 300 Length (m) 400 500 600 0 100 200 300 Length (m) 400 500 600

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6.

CONCLUSIONS

L.

The worthiness of both the Henry saltwater intrusion problem and the Elder convection problem were studied to assess their suitability to be used as a test case for the verification of variable density groundwater flow models. The analysis of the Henry problem showed that the present model was able to reproduce typical profiles for the distribution of the saline water observed by previous investigations. The quality of the solution was observed by resolving the problem in an uncoupled mode where the transport equation was associated with a passive tracer. The uncoupled results indicate that a similar pattern of fluid velocity and solute distribution are observed. This means that if used alone for the verification of a variable density groundwater modeling code, it is feasible that the results may appear to be capturing the physical processes without necessarily simulating the correct internal dynamics. The Elder salt convection problem was also solved using the proposed algorithm to simulate the dense fingering and complex velocity fields associated with this problem. The convection problem was also resolved using a completely uncoupled solution. This resulted in a simple diffusion profile with no convection within the aquifer. This has the advantage of illustrating the importance of the coupling between the equations in terms of correctly predicting the dynamics of coupled groundwater flows. Since this dependence is not observed in the solution of Henry's problem, it is clear that the Henry saltwater intrusion problem should never be used alone as it has in the past to verify density dependent groundwater flow codes.

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Besides the relative importance of the boundary forcing, another difference between the Henry and Elder problems is in the magnitude of the density difference. Since the Elder problem has a larger ratio of the fresh to the saline density difference, then the coupling between the equations for this problem is stronger than for the Henry problem. This weak dependence means that a simple updating scheme for the coupling of the flow and transport equations is sufficient for the Henry problem. This simple updating scheme is only applicable because of the small value of $% =0.00249). Conversely, the Elder convection problem is frequently termed a brine flow situation as the maximum fluid density is equivalent to that of a salt brine (Boufadel, 1999b). This means that the value of $is much larger % =0.2) and hence a simple updating scheme would be infeasible. Therefore, a successful simulation of the Elder convection problem also necessitates the use of a coupling loop as well as some convergence criteria to exit the coupling when the solutions have converged within each time step. For this reason it is clear that the Elder problem is better suited for the verification of coupled flow and transport models than the Henry problem as the latter does not necessarily depend upon a consistent coupling scheme.

Modelling in Hydrogeology

REFERENCES Boufadel, M.C., Suidan, M.T. and Venosa, A.D. (1999a) A Numerical model for density-and-viscosity- dependent flows in two-dimensional variably saturated porous media. "Journal of Contaminant Hydrology". 37, 1-20. Boufadel, M.C., Suidan, M.T. and Venosa, A.D. (1999b) Numerical Modeling of water flow below dry salt lakes: effect of capillarity and viscosity. "Journal of Hydrology". 221, 55-74. Croucher, A.E. and O'Sullivan, M.J. (1995) The Henry problem for saltwater intrusion, "Water Resources Research" 31(7) 1809-1814 Elder, J.W., (1967) Transient convection in a porous medium. "Journal of Fluid Mechanics". 27, 609-623 Frind, E.O. (1982) Simulation of long-term transient density-dependent transport in groundwater. "Advances in Water Resources", 5, 73-88 Galeati. G., Gambolati, G. and Neumann, SP. (1992) Coupled and Partially Coupled Eularian-Lagrangian Model of Freshwater-Seawater mixing. "Water Resources Research". 28(1), 149-165 Henry, H.R. (1964) Effects of dispersion on salt encroachment in coastal aquifers, Sea water in coastal aquifers. "U.S. Geological Survey Water Supply Paper".,1613C, 70-84

Kolditz, O., Ratke, R., Diersch H-J G. and Zielke, W. (1998) Coupled groundwater flow and transport: 1. Verification of variable density flow and transport models. "Advances in Water Resources", 21(1), 27-46

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Oldenburg, C.M. and Pruess, K. (1995) Dispersive transport dynamics in a strongly coupled groundwater-brine flow system. "Water Resources Research". 31(2), 289302 Simpson, M.J. and Clement, T.P. (2001) "Worthiness of the Henry and Elder problems for density dependent groundwater model evaluation". (in preparation) Voss , C.I. and Souza, W.R. (1987) Variable density flow and solute transport simulation of regional aquifers containing a narrow freshwater saltwater transition zone. "Water Resources Research". 23, 1851-1866 Yeh, G-T. (1981) On the computation of Darcian Velocity and Mass Balance in the Finite Element Modeling of Groundwater Flow. "Water Resources Research", 17(5): 1529-1534

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Herbert, A.W., Jackson, C.P. and Lever, D.A. (1988) Coupled Groundwater Flow and Solute Transport with Fluid Density Strongly Dependent upon Concentration. "Water Resources Research" 24(10), 1781-1795

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.169-190

Modelling Advection-Dispersion Process for Dual Radiotracer Dating of Groundwater with an Example of Application to a 14C and 36Cl Data Set from Central Australia

S.K. Gupta

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1. INTRODUCTION

This paper investigates the applicability of the three commonly used models of groundwater flow to a recent radiocarbon and chlorine-36 groundwater tracer data set from Central Australia (Cresswell et al., 1999 a, b). The models being considered are (i) the Piston-Flow Model (PFM), (ii) the Well-Mixed Reservoir (WMR) Model, and the Dispersion-Advection (DA) Model. Any of the three flow models is able to explain the available 14C and 36Cl/Cl- data by invoking some addition of `dead' chloride during passage through the aquifer. The highest groundwater model ages are given by the DA model with D/u2 =106 a. Though, not unlikely, there is no real justification for assuming such large value of D/u2. However, if lower values of D/u2 (~103 a), as are adequately able to explain the data points are accepted, the groundwater model ages are highest for the WMR (~110ka) from the Amadeus Basin. The chloride/ sulphate data coupled with fracture type of secondary porosity for Ngalia, Arunta and Amedues formations suggest relatively local recharge of groundwater with little dispersion between different flow streamlines. It also appears that the present data set does not permit calculating groundwater ages using PFM on 36 Cl/Cl- measurements, ignoring 14C measurements and the drawing of palaeoclimatic interpretations from the so calculated of very old ages

Radioisotopes of appropriate half-life are used for groundwater age determination and in assessing the dynamics of flow within the aquifers. Typical groundwater velocities in many large aquifers in arid and semi-arid zones range from <1 m.a-1 to >100 m.a-1. Radiotracers in the 103-106 a half-life range can be expected to show significant concentration change during groundwater flow over flow distances of 10 to 1,000 km and are thus most useful. However, except for isotopes of oxygen and

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Abstract

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hydrogen, all other tracers of groundwater movement can only be present in one or the other dissolved forms, their concentrations may be affected by interactions with the aquifer matrix. Presently, several models are available that attempt to quantify the effect of non-radiogenic processes on tracer concentration variation during groundwater flow. Interpretation of radiotracer measurement data in terms of parameters of groundwater flow from a given region is; therefore, strongly dependent on the choice of flow model. It is, therefore, important to understand the underlying assumptions and the limitations of the various available flow models. This is expected to help in better understanding of the dynamics of groundwater flow from the available data set. In addition, it should also help design better experiments while embarking on a programme of new investigations. In this paper, three commonly used models of groundwater flow have been investigated in respect of their applicability to a recent radiocarbon and chlorine-36 groundwater tracer data set from central Australia (Cressel et al., 1999 a, b). The models being considered are (i) the Piston-Flow Model (PFM); (ii) the Well-Mixed Reservoir (WMR) Model; and (iii) the Dispersion-Advection (DA) Model. An earlier work (Gupta et al., 1981) on dual radiotracer dating formed the basis of this investigation. 2. BACKGROUND

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36

Radiocarbon (14C) is cosmogenic in origin and has a half-life of 573040 years. This isotope gets incorporated in groundwater by dissolution of soil CO2 at the plant root level in unsaturated zone. The carbonic species formed are subject to interaction with the matrix carbonate and this gives rise to number of problems in correct age estimation (Wigley et al, 1978; Fontes, 1983, 1992; Geyh, 1992). Radiocarbon measurements in groundwater are generally reported in terms of Percent of Modern Carbon (PMC) which indicates 14C/C ratio in the dissolved carbon with reference to modern wood standard. Cl has a half-life of 3.01x105 years and gets incorporated in groundwater along with the anion chloride. Unlike radiocarbon, there can be significant in-situ lithogenic production of 36Cl due to interaction of U and Th decay neutrons on 35Cl. The abundance of 36Cl is usually reported as atomic ratio of 36Cl to total chloride in the sample. This ratio is always quite small in natural waters, typical value ranging from 10-15 to 10-11. Over geologic time, equilibrium is established between subsurface in-situ production of 36Cl and its decay. The equilibrium 36Cl/Cl value will depend on the rate of production of 36Cl, which is a function of U and Th concentration in the aquifer. The attractiveness of chlorine in hydrologic studies is that it is highly soluble, exists in nature as a conservative non-sorbing anion and does not participate in redox reactions. However, in using 36Cl/Cl ratio an assessment must be made of subsurface addition of stable Cl isotopes to the water by

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either chemical reactions with rock, ion filtration or mixing with higher chloride waters; such additions can substantially change 36Cl/Cl ratio. In common with 14C, age interpretation using 36Cl/Cl also require knowledge of initial (at t = 0) 36Cl/Cl ratio. In-situ production of 36Cl must also be taken into account through adequate assessment of U and Th concentrations in the aquifer. Because at t = 0, 36Cl/Cl values are in the 20-500x10-15 range, in-situ production (~50x10-15) can have significant effect on the observed 36Cl/Cl ratios. At the other end, the presence of either thermonuclear 14C and 36Cl in groundwater clearly indicates a young age for water or, in case of groundwater mixing, at least some significant portion of that water. 3. GROUNDWATER FLOW MODELS

The most commonly used groundwater flow model for interpretation of radiotracer data assumes that as groundwater moves away from the recharge area, there are no flow lines of different velocities and that hydrodynamic dispersion as well as molecular diffusion of the tracers are negligible. Thus, the tracer moves from the recharge area very much like a parcel pushed by a piston with the mean velocity of groundwater. This implies, that tracer which appears at a sampling point at any time t entered the system at a time t -T, and from that moment its concentration has decreased by radioactive decay during the time span T. Therefore,

Equation 1 describes a dynamic system and is mathematically equivalent to Equation 2 describing the concentration of a radioisotope in a static water parcel separated since the recharge time whereby

C (t ) = C (0) exp( t )

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L.

C (t ) = C (0) exp( x / u )

C1 (t ) = C1 (0) exp(1t ) C 2 (t ) = C 2 (0) exp( 2 t )

Where, t here is the radiometric age of water and corresponds to T of the dynamic system. If 'x' is the distance from the recharge boundary, T = x/u can be used to estimate the flow rate (u) of groundwater in the aquifer. (2b)

If two tracers '1' and '2' (e.g. 14C and 36Cl) are being measured one can write (3) (4)

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(1) (2a)

Modelling in Hydrogeology

Or

(5)

This, on 'log-log' Dual Tracer plot gives a straight line with a slope 1/2 (Fig.1). Thus, if the piston flow model is applicable, the samples must plot on the PFM line in the Dual Tracer 'log-log' plotting field. It is interesting to note that the distance of a point on the PFM line from the recharge point C/C(0)=1 corresponds to T= x/u. 3.2 Well-Mixed Reservoir Model

C (t ) =

C (0) (1 + )

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172

Where, is again the radioactive decay constant and , the ratio of reservoir volume to the recharge volume flux, represents the estimated mixing time (or the mean residence time) between the recharge area and the sampling location. It is seen that (7)

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estimated from tracer data actually represents a dynamic parameter-the mixing time. As before, if there are two tracers we get

On Dual Tracer 'log-log' plot, Equation 8 gives a curved line with slope changing with changing value of '' as shown in Fig.1.

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(6)

Unlike in the PFM, if it is assumed that the recharge flux, with tracer concentration C(0) completely mixes with the entire volume of the reservoir before outflow (concentration C(t)), we get another extreme case model known as Well-Mixed Reservoir (WMR) model. In application of this model to an aquifer system, it is assumed that the mixing reservoir comprises the entire volume between the recharge area and the sampling point.

Modelling in Hydrogeology

Tracer-1,

0.001 0.01

14

C, C/C0

0.1 1

A B

D/u2=104; p=0 PFM D/u2=106; p=0

O1

C

DA (D/u2= 8 )

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D E

WMR

El

Piston Flow Model (PFM) Disp. Adv. Model (DA) Well Mixed Res. Model (WMR)

0.1

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D/u2=106;p=10-6

t =x/u=105

t =x/u=106

D/u2=104; p=10-6

t =x/u=107

F

Fig. 1

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3.3 Dispersion-Advection Model The phenomenon of mixing accompanying the movement of a chemical species through porous media can also be handled by a diffusion-advection equation in which diffusion coefficient is replaced by a dispersion coefficient (Scheidegger, 1961). The one-dimensional continuity equation for a tracer in an isotropic dispersive groundwater flow system, following Guymon (1972) may be written as

C t

D C x uC x

)+W

W2

(9)

Where, 'D' is the diffusion coefficient of the tracer, and as in case of PFM, 'x' the distance from the recharge boundary, 'u' the bulk flow velocity. W1 and W2, are the rates of introduction and removal of the tracer. With further assumption of u and D not being functions of x and in case of steady state (i.e. C t = 0 ), the equation reduces to

2C x

2

C +W 1 W 2 = 0 x

In case of radioactive tracers, the term W2 will include in addition to radioactive decay, loss of tracer due to non-radioactive processes. Dealing only with the case of tracer loss by radioactive decay alone and for W1=0, Equation 10 can be re-written as

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x 2

C = C 0 exp( x / u )

C C0

2C

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C C = 0 x

174

This equation for the case D=0 and the boundary condition C = C0 at x = 0 gives the solution for an ideal piston flow (12)

In case of finite dispersion the solution of (11) for the boundary conditions C = C0 at x = 0 and C = 0 at x = is given by (Gupta et al., 1981).

12 ) , xu 3 - & 4 D # 0 * = exp ! /' 21 $1 + 2 2D u " * .' 1 % + (

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(10) (11) (13)

Modelling in Hydrogeology

The tracer concentration decreases exponentially with distance; somewhat similar to the case of the piston flow model. Therefore, a simplistic application of the piston flow model would give an apparent velocity 12 u3 - & (14) # 0 u a = 21 $1 + 4 D 2 ! / 2 In case of two radiotracers, we have from Equation 13

u "

ln (C C 0 ) 1

( )1 2 ln(C C0 ) 2 12 1 ( 1 + 4 2 D u 2 )

1 1 + 41 D u 2

(15)

It is also seen from Equation 15 that as D , the slope term (1/2) indicating that different straight lines for different value of D/u2 will lie in the plotting field between the slope of 1/2 (PFM) and (1/2) the limiting case of D (Fig. 1). An interesting modification of the above DA model is the general case of semiconfined aquifer wherein some amount of young recharge is added due to leakage influx from the overlying unconfined aquifer and there is also some leakage outflux to the underlying aquifers. Following Gupta et al (1981) the continuity equation can be re-written as

2C x

2

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El

(uC ) + pC 0 C qC = 0 x

The term p represents the rate of leakage influx of relatively young water (activity ~C0) and q represents the rate of leakage outflux (activity = C) from the aquifer.

In Equation 16, u, in general, is a function of x as governed by u/x = p-q. However, if both p and q are constant, u/x = constant or zero. We further assume that the activity of the tracer in the input flux is constant throughout the extent of aquifer and is the same as that at the input boundary. In real aquifer systems it may vary somewhat with `x.

Equation 16 was solved by Gupta et al (1981) for the case of C/x = 0 at the discharge boundary located at a distance L from the recharge boundary. Their solution for the particular case of p = q and L is

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(16)

Which is a straight line on Dual Tracer 'log-log' plot. The slope is function of D/u2 (Fig.1). The distance from the recharge boundary (characterised by C/C0=1 for both tracers to any point in the plotting field is a measure of the dimensionless parameter xu/D (cf. Equation 13). Thus knowing x (i.e. distance of the sampling well from the recharge boundary in the field), both u and D can be estimated.

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C C0

Where m

1 2) u , 1 1 + 4( + p ) D u 2 ' * 2D + (

(17)

It is easy to see for a non-zero p, the tracer concentration given by (17) will approach an asymptotic value = (p/p+) independent of eddy diffusivity (D). In fact for p=1 the asymptotic value is the same as that given by the Equation 6 representing the Well-Mixed Reservoir model. So we visualise DA model as a more general case of which special cases are: Piston Flow (for D = 0) and Well-Mixed Reservoir (p = 1).

4.

In the light of the above discussion, it is now possible to subdivide the Dual Radiotracer ''log-log'' plotting field into various sub-regions to get an idea about the parameters of the applicable flow model from a set of measurements. Table-1 summarises the applicability of different flow models as can be discerned from Dual Radiotracer ''log-log'' Plot (Fig.1). The data points corresponding to Piston Flow and Well-Mixed Reservoir Models are expected to fall along lines marked PFM (straight line OB) and WMR (curve OGE) respectively. The various cases of the Diffusion Advection (DA) model, for different values of D/u2 and no leakage influx of relatively young water (i.e. p = 0), plot as straight lines in the region lying between the PFM and the limiting case for DA model as D/u2 . In Fig.1, two such curves for D/u2 104a and 106a are shown. In all cases, the model groundwater age (t = x/u) increases as the data point moves away from the origin, O, along any particular curve. In Fig. 1, lines joining the points with three values of model groundwater ages (105, 106 and 107 a) are shown across the straight lines for different values of D/u2 for p = 0. However, in case of leakage influx of relatively young water (i.e. p > 0), the curve for any given value of D/u2 begins to deviate from the corresponding straight line and asymptotically meet the WMR curve asymptotically. It is seen that the Region-OABO (Above the Piston Flow Line) is forbidden and no data point should lie in this region, except in case of dissolution of radioactively dead Tracer-1 (in the present case 14C). Similarly, no data points can lie in the Region-OGE, i.e.

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All the three models discussed above can incorporate a term for a finite loss of tracer from a confined aquifer owing to non-radioactive process. This can be done by considering another rate constant E, similar to , the radioactive decay rate constant and replacing by (+E) in the various solutions. In this way by studying the observed deviations from any particular model curve in the 'log-log' Dual Tracerplotting field, it is possible to estimate the magnitude of parameter E for the selected flow model for one of the tracers. However, it is still required to assume that the other tracer did not undergo loss due to non-radioactive processes.

Modelling in Hydrogeology Table-1. Applicability of different flow models for points plotting in different regions of Dual radiotracer 'log-log' plot (Fig.1). Note that Tracer-1 plotted on the Abscissa has lower half-life compared to Tracer-2 plotted on the Ordinate. Piston Flow Model Region of Plot Region-OABO: Between Abscissa (Tracer 1 axis), PFM and small part of the curve of WMR close to origin Region-OBCGO: Between PFM, DA (D/u2!) and part of the curve of WMR between G and O Region-GCDEG: Between DA (D/u2!) and WMR between E and G Region-OGO: Between DA (D/u2!) and WMR between G and O Region-OGEFO: Between Ordinate (Tracer 2 axis), DA (D/u2!) and WMR between G and E p=0; E=0 ! P=0; E0 ! p0; E=0 ! p0; E0 ! Well-Mixed Reservoir Model p=0; E=0 ! P=0; E0 ! p0; E=0 ! p0; E0 ! Dispersion-Advection Model p=0; E=0 ! P=0; E0 ! p0; E=0 ! p0; E0 !

"

"

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" ! ! ! ! " " ! ! ! ! ! " ! " ! " " " ! " ! " !

"

"

"

"

"

"

"

"

"

"

"

"

El

" !

"

"

L.

! Means 'Not possible'.

'p' is the fractional volume rate of leakage influx from the unconfined to confined aquifer, with tracer concentration "C0 for both tracers. 'E' is the rate constant for loss of Tracer-2 due to non-radioactive processes. For Tracer-1, it is assumed 0.

" Means 'Possible'. 'PFM means Piston Flow Model line. 'WMR' means 'Well-Mixed Reservoir' Model line. DA (D/u2)' means 'Dispersion Advection' Model line for D/u2 approaching infinity.

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below WMR and DA limiting case for (D/u2 ), except in case of dissolution of radioactively dead Tracer-2 (in the present case 36Cl), i.e. for E 0. As an example of the applicability of the Dual Tracer ''log-log'' plot, we have plotted in Fig.2, data points taken from two recent papers (Cresswell et al, 1999a,b) from Central Australia. The relevant isotopic and other data are reproduced in Table-2. It is interesting to note that there are no data points above the PFM line OB indicating that dissolution of dead carbon may be negligible. But several points, belonging to all the three series of groundwater samples, lie below the section OGE, indicating that in the investigated regions a significant dissolution of dead chloride may be taking place as groundwater progressively moves within the aquifer. The addition of dead chloride can be estimated using a model for chloride dissolution in the aquifer. Several models of chloride increase with time, viz. Linear, exponential, logarithmic etc are possible. We will probably have no reasonable justification for choosing any particular model. Therefore, we choose one that is mathematically simple to handle and also does not appear unreasonable. One such model could be that chloride addition is a first order process wherein the rate of chloride increase at any given instant is proportional to its concentration (Cl-) in groundwater, i.e.

It is implicitly assumes that the product 'E.t' is well below infinity. Using this model for chloride addition, we can rewrite the equations for the three flow models, viz. PFM, WMR and DA models. For PFM,

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14

36

And

El

Ct =

14

36

d Cl = E .Cl dt

Cl t

=

=

Cl t

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or (Cl )t = (Cl )0 e E t

(18)

C 0 e 14 t

Cl 0 e 36 t

(19)

Cl 0 e E t

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14

C, C/C0

0.1 1 1

0.01

A B PFM

G C WMR

El

Ngalia

14

0.10

L.

D

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Piston Flow Model

36

Cl/Cl-, C/C0

C, C/C0

D = 23.37Ln(C/C0) - 25 D = 37.21Ln(C/C0) - 15

-80

0.1

Fig. 2:

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Stn No. Ngalia Basin 14980* 15472* 15463* 14055 12910 6165 15477 12578 10945

Table-2. Groundwater isotopic tracer data from aquifers in Central Australia. Source: Cresswell et al (1999a,b) 36 14 Cl - (C/C0)+ C - (C/C0)+ Well Depth Cl D 18O (mg/l) (m) () () 31 28 28 23 72 34 45 31 12 70 55 75 48 22 73 54 595 270 953 336 333 303 1560 110 786 129 1.050.08 0.830.06 0.860.07 0.820.06 0.850.07 1.020.07 0.850.07 1.100.13 0.800.09 0.350.04 0.820.10 0.300.04 0.590.07 0.260.03 -7.08 -8.35 -7.47 -6.39 -6.32 -6.97 -5.54 -53.5 -59.3 -54.1 -51.0 -49.0 -50.0 -45.0

d=8x18O-D () -3.1 -7.5 -5.7 -0.1 -1.6 -5.8 0.7 -2.8 -9.7 -1.6 -9.9 -8.7 -10.5 -9.56

Cainozoic Basin 13795 15740 16694 5754 Amadeus Basin 13669 13653 13652 11843 12681 14566 11396*

El

0.980.07 312 15 0.790.06 0.950.07 212 0.790.07 0.540.05 0.830.07 0.920.07 199 215 195 138 1.050.07

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0.910.07 0.410.05 -6.52 1.040.08 0.120.01 -8.42 0.510.04 0.930.11 -6.95 1.040.08 0.420.05 -8.49 0.290.03 0.100.01 -8.52 0.950.11 0.460.05 0.190.02 0.210.02 0.090.01 0.080.01 0.070.01 0.960.11 -8.85 -9.52

-49.4

-57.7 -51.6

-58.0

-59.5

-60.3 -66.6

L.

18

+

*These samples were assigned by Cresswell et al (1999a) to Cainozoic Basin. We have reassigned them considering groundwater flow directions as shown in Fig. 2 of Cresswell et al (1999a). C0, the average concentrations of radiotracers in the recharge areas of all the three basins have been assumed as 8510 percent modern carbon (pMC) for 14C and 20010 (x10-15) for 36Cl/Cl- ratio.

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Therefore,

( (

(20)

So that we get different straight lines for different values of E in the Dual Tracer 'log-log' plot as shown in Fig.3.

14

C , C /C 0 0.1 1 1

= 2X10 -5

El L.

= 5X10 -5 tpf=30ka = 1 0 -4 tpf=20ka

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tpf=5ka tpf=10ka

36

= 10 -6

Cl/Cl-, C/C0

P is to n F lo w M o de l 0.1

Fig. 3

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14

Ct Clt

= =

C0 1 + 14 tWMR Cl 0 1 + 36 tWMR

Cl 0 1 E tWMR

36

36

(21)

And Therefore,

Cl

, ) 0 ln3 2 1(1+ t / & 14C t # * ' 36Cl Cl t ) 14 WMR . 1 ! = * ln$ ' ln $ 14C ! (1 EtWMR) 0 ' 36Cl Cl * ln3 0" % 0 2 (1 + 36 tWMR)/ * .' + 1 (

In this case the Dual Tracer 'log-log' plots for different values of E are no more straight lines as seen from Fig.4.

El

14

14

Ct

Ct

=

=

, xu 3 2 1 2 0) C 0 exp * /' 21 1 + 4 14 D u .( + 2D 1

, xu 3 2 1 2 0) C0 exp* 21 1 + 4 36 D u /' .( + 2D 1

36

36

L.

Clt

Therefore,

& 14 C t ln $ $ 14 C 0 %

, xu 3 2 1 2 0) exp * = Cl 0 21 1 4 E D u /' .( + 2D 1

{ (

an go

( ( ) )

(22)

(23)

{ (

)} { (

)}

)}

( (

) )

(24)

182

Modelling in Hydrogeology

14

C, C/C0 0.1 1 1

0.01

E=0

=10-6

an go

twmr=5ka =5X10-6 twmr=20ka =10-5 =2X10-5 =10-4 twmr=50ka Ngalia Cainozoic Amadeus Well-Mixed Reservoir Model

Fig. 4

36

Cl/Cl-, C/C0

L.

twmr=100ka

El

183

0.1

Modelling in Hydrogeology

Which, as in case of Equation 15, is a straight line on Dual Tracer 'log-log' plot. The slope, in addition to D/u2 is a function of E (Fig.5). Once again, the distance from the recharge boundary (characterised by C/C0=1 for both tracers to any point in the plotting field is a measure of the dimensionless parameter xu/D (cf. Equation 23).

14

C , C /C 0 0.1 1 1

0.01

D /u 2 =1 0 3 ; E =0 D /u 2 =1 0 4 ; E =0 D /u 2 =1 0 6 ; E =0

D /u 2 =1 0 6 ; E =2 .5 x 10 -7

El L.

N galia C ainozoic A m adeus

an go

36

D /u 2 =1 0 4 ; E =2.5x 1 0 -5

Cl/Cl-, C/C0

D /u 2 =10 3 ; E =2.5 x1 0 -4

D A - M odel 0.1

Fig. 5

184

Modelling in Hydrogeology

The estimated Cl- concentrations at time t = 0 obtained using Equations (19) - (23) are given in (Table-3). These are plotted in Fig. 6 with data of 18O (Cresswell et al, 1999a) on the ordinate. It is seen that the data points in the two enclosed areas (A & B) on Fig. 6, do not show much significant change from their measured Clconcentrations for any of the flow models. Though most data points for Amadeus Basin are not included in Fig. 6 (because 18O values for these are not available), Table-3 shows that these behave similarly except for DA with D/u2 =106a. The geographical location of the sampling points in the two enclosed areas A & B in Fig. 6 can be seen in Fig. 2 of Cresswell et al (1999a). It is observed that the respective samples derive from two different groundwater flow regimes originating in the north (Ngalia Basin) and south (Arunta Block-Amadeus Basin) and draining towards the `in-between' depressed region containing playas/ saline lakes. It is only the samples from this `in-between' region in the vicinity of the playas/ saline lakes that exhibit large differences in the measured Cl- and its estimated value at t = 0. Hydrologically, this is not unexpected, because the playas do contain lot of dead Cl- as exhibited by the 36Cl/Cl- data of samples from the Playa Lake Ngalia (Cresswell et al, 1999a).

L.

-5

15477

El

20 0 40 0 600 8 00 10 00 1 200 14 00

12910 14055 12578 6166

-6

O (per mil)

-7

14980

15463

A

-8

13795 16694

delta

18

-8

15472 15740

-9

5754

B

11396

-1 0 0 20 0 40 0 600 8 00 10 00 1 200 14 00 16 00 18 00

an go

16 00 18 00 20 00 -5

N g alia-P F M C ain o zicPFM Am ad eu sPFM N g alia-W M R

Radiocarbon model ages of groundwater for data points taken from (Cresswell et al, 1999 a, b) are given in Table-3. It is seen that all flow models, except DA with D/u2 =106 a, give model groundwater ages that are significantly lower than obtainable by accounting 36Cl/Clchanges due to radioactive decay of 36Cl only. Even for DA with D/u2 =106 a, the highest model groundwater age is ~250ka (Amadeus Basin; Sample No. 14566). But, in this case, several data points give negative estimates of `E'. This indicates that, in the Dual Tracer `log-log' Plot, the position of these samples is above the 36Cl/Cl- value for the model curve for D/u2 =106 a. Assuming a higher value of D/u2 would no doubt increase the model groundwater age estimates but, it is also seen from Fig. 2, that measurement errors do not enable one to distinguish between the curves for D/u2 =105 a and D/u2 = . Even for D/u2 = , it is still necessary to explain the plotting position of some data points by invoking dissolution of `dead' chloride. In such a situation, it may not be logical to reject the same for other data points.

C en tral A u stralia

-6

13795

-7

-9

C ain o zicWMR Am ad eu sWMR N g alia-D AD /u 2= e3 C ain o zic-DAD /u 2= e3 Am ad eu s-D AD /u 2= e3 N g alia-D AD /u 2= e6 C ain o zic-DAD /u 2= e6 Am ad eu s-D AD /u 2= e6 N g alia C ain o zic Am ad eu s

-1 0 20 00

C h lo rid e (m g/l)

Fig.6

185

Modelling in Hydrogeology

Table-3. Model ground water ages and estimates of chloride concentration at the time of recharge for different flow models. Model Estimated E (a-1) DA Model PFM D/u = 103 a Ngalia Basin -8,865* 1.2E-04 8.5E-05 6.2E-05 2.4E-07 2.9E-08 -7.4E-05@ 1.0E-04 2.2E-07 4.7E-08 -3.3E-06@ 2.6E-07 1.1E-05 1.1E-06 9.9E-06 1.6E-06 -3.0E-06

@

2

2

2

2

WMR

D/u2 =

D/u2 = 106 a

14980* 1,080 20,674 7.3E-05 7.2E-06 1.3E-05 4.8E-06 1.7E-06 4.2E-05 7.8E-05 12 47 4 490 106 235 24 977@ 71 1.3E-07 7.5E-08 8.1E-08 1.3E-07 -4.1E-06 1.4E-06

@

22 11,200 1.0E-04 8.5E-05 -5.9E-05@ 60 1.3E-04 6.4E-05 5.4E-05 2 1,990 99,729 9.1E-06 9.4E-05 9.3E-05 7.0E-05 4.8E-05 19,430 11,200 113,443 11,220 49,730 11,200 129,472 11,230 84,154 11,200 199,892 11,350 4.2E-06 -4.3E-06

@

-770*

-740*

-850*

6.1E-05

6.6E-05

5.2E-05

-1.5E-05@ 23

890

73

1,800

2,010

1210

15463* 1,870 1,080 10,930 1,080 4,790 1,080 12,480 1,080 8,110 1,080 19,260 1,090 1.0E-05 1.1E-05 7.0E-06 3.1E-06 6.0E-06 1.2E-05 4.3E-06 1.7E-05 1.3E-05 -5.7E-06@ -5.0E-06@ 8.9E-06 -5.4E-06@ 1.4E-05

54

8,670

15,310

970

2780

L. El

7.1E-07 293 27 306 25 -2.9E-06 1.0E-07

@

14055

595

1,690

1,870

980

1,190

12910

270

9,860

18,970

970

3,210

6165

953

4,320

5,680

970

1,640

15477

336

11,250

23,970

@

@

@

980

3,800

12578

333

7,310

11,750

970

2,360

6.1E-06

10945

303

17,367

59,300

391@ 2 6

990

8,050

an go

7.5E-04 1.2E-03 3.3E-05 1.4E-03 -8.4E-03 2.6E-02

Cainozoic Basin

710 1,080 7,327 11,200 1.1E-03 1.6E-03 789 2305 789 1734 1522 1590 3042@ 5761

13795

1,560

640 970

662 1,050

186

Modelling in Hydrogeology

15740 20,900 1,100 500 1,080 5,176 11,200 4.3E-05 1.9E-04 4.1E-05 1.8E-04 2.0E-05 8.2E-06 -8.0E-07@ 2.1E-06 15 1 173 19 111 21 -4.3E-07@ 6.1E-08 -1.3E-06@ 3.9E-08 1.4E-06 1.6E-07 -1.7E-04@ -2.4E-04@ 5.9E-04 1.3E-03 187 18 188 14 145@ 32 2.5E-07 5.8E-09 -1.1E-06@ 3.2E-07 1.0E-06 2.4E-07 -1.4E-06@ 5.8E-08 3.0E-05 4.7E-06 -2.3E-06@ 1.5E-06 250 29 252 28 15@ 1 180 17 127 20 218@ 19 223@ 17 145@ 33 3.7E-05 8.1E-05 -5.1E-06@ 3.9E-05 127 12 127 12 127 8 251 12 15 0 173 4 112 5 188 2 189 1 145@ 32 216,874 11,400 6.4E-05 6.4E-06 9.2E-06 1.4E-06 5.4E-05 2.8E-06 -1.7E-05@ 2.6E-06 234 107 261 106 235 22 1750@ 74 130@ 13 338@ 5 17@ 0 197 1 231@ 2 233@ 1 235@ 2 145@ 75

110

7,200 970

11,470 2,330

7,980 1,080

82,808 11,200

-7.8E-06@ 1.0E-05

-5.9E-06@ 6.8E-06

-7.3E-06@ 6.7E-07

-4.0E-06@ 2.7E-07

116@ 8

117@ 9

117@ 1

125@ 2

16694

786

18,840 990

72,500 9,680

5754

129

450 970

460 1,030

Amadeus Basin

13669 15,370 1,080 14,440 1,090 21,900 1,100 23,290 1,110 24,300 1,090 340 1,080 11,200 5.5E-04 3,535 -1.6E-04@ -1.6E-04@ 252,228 11,310 1.8E-06 3.4E-06 -1.3E-06@ 7.9E-07 241,729 11,550 6.6E-06 4.0E-06 -1.5E-07@ 9.0E-07 5.7E-06 3.8E-07 227,264 11,460 2.9E-05 5.2E-06 4.5E-06 1.1E-06 2.6E-05 1.4E-06 149,835 11,200 1.6E-05 6.7E-06 4.8E-06 2.5E-06 1.4E-05 1.2E-06 159,500 11,310 1.4E-06 5.2E-06

312

6,420 980

9,700 2120

7,120 1,080

73,885 11,200

3.4E-05 1.4E-05

13653

15

13,860 980

35,930 5,230

13652

212

13,020 980

31,660 4,750

L. El an go

5.7E-04

11843

199

19,750 1,000

81,820 10,850

12681

215

21,000 1,000

96,610 12730

14566

195

21,910 990

108,840 13,920

11396 *

138

310

310

970

1,010

* -ve model age means that the measured 14C activity is > the assumed 14C activity of ground water in recharge area i.e. >8510 pMC. @ -ve estimate of E indicates that the sample plots above the curve for the particular model in the Dual Tracer Log-Log Plot. This indicates that the measured 36Cl/Cl- ratio, when corrected for the estimated model age based on 14C data, would give 36Cl/Cl- in recharge area > the assumed initial value of 20010 (x10-15). As a result the computed value of Cl-0 is > Cl-t, the measured value of Chloride. 187

Modelling in Hydrogeology

5.

CONCLUSIONS

It appears that the 14C and 36Cl/Cl- data reported by Cresswell et al (1999 a, b) on groundwater samples from central Australia can be explained by any of the three flow models by invoking some addition of `dead' chloride during passage through the aquifer. The DA model with D/u2= 106 a gives the highest groundwater model ages. Though not unlikely, there is no real justification for assuming such large value of D/u2. However, if lower value of D/u2 (~103a), as is adequately able to explain the data points is accepted, groundwater model ages are highest for the WMR (~110ka) for sample No.14566 from the Amadeus Basin. The corresponding PFM age is only ~22ka. The groundwater model age for this sample for DA with D/u2 =103a is ~250ka. The present data set does not permit choosing any particular value of D/u2, but D/u2 =106a would appear to be the highest permissible value because of four reasons. (i) The measurement errors do not permit distinguishing between D/u2 =105a and D/u2 = . (ii) Many samples give negative values of Eparameter that describes rate of chloride addition during subsurface flow for D/u2 =106a. (iii) The 18O values for the samples originating from the two hydrogeologically coherent regions in northern Ngalia basin (Fig. 6, Area A) and the southern Arunta-Amedues basin (Fig. 6, Area B) average -71.5 and -91 respectively. (iv) The random distribution of chloride/ Sulphate between these hydro-geologically coherent regions, coupled with fracture type of secondary porosity for Ngalia, Arunta and Amedues formations suggest more local recharge of groundwater with little dispersion between different flow streamlines. It is also shown that the flow models do not permit calculating groundwater ages using PFM on 36Cl/Cl- measurements, ignoring 14C measurements and the drawing of palaeoclimatic interpretations from the so calculated of very old ages.

L.

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188

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The 18O values for the samples originating in northern Ngalia basin (Fig. 6, Area A) and the southern Arunta-Amedues basin (Fig. 6, Area B) average -71.5 and 91 respectively. It is also noticed that even after correction for chloride dissolution, groundwater samples continue to fall in their original respective groups on the basis of chloride concentrations, namely those with Cl- #150mg/l and those with Cl- $225 mg/l (Fig. 6). It is also observed that the samples belonging to the two chloride groups are geographically distributed in both northern Nglia basin and the southern Arunta-Amedues basins, and within each basin their distribution shows no pattern. This, sort of random distribution of Cl- values, taken together with two hydro-geologically coherent grouping based on 18O data, suggest that different groundwater in both hydro-geological regimes originated with different Clconcentrations in their recharge areas and that different streamlines did not undergo much dispersion and mixing during subsurface flow. This may be an indication of more local origin of various groundwater masses as would be expected for the fractured sandstone aquifer of Ngalia and Amadeus basins and the metamorphic rocks of Arunta complex.

Modelling in Hydrogeology

ACKNOWLEDGEMENTS Dr. Nipun Kapur was associated with this work in the initial stages. Mr. R.D. Deshpande has also participated in some discussions on interpretations and conclusions of this work. I sincerely thank both these colleagues. Gujarat Water Resources Development Corporation Limited (GWRDC) provided part financial assistance for this work. REFERENCES Cresswell, R., Wischusen , J., Jacobson, G. and Fifield, K. (1999a): "Assessment of Recharge to Groundwater Systems in the Arid Southwestern part of Northern Territory, Australia, Using Chlorine-36". Hydrogeology Journal, Vol.7, pp393-404. Cresswell, R.G., Jacobson, G., Wischusen, J. and Fifield, K.L. (1999b): "Ancient Groundwaters in the Amadeus Basin, Central Australia: Evidence from the Radioisotope 36Cl". Journal of Hydrology, Vol.233, pp.212-220. Fontes, J.Ch. (1983): "Dating of Groundwater". In: Guidebook on Nuclear Techniques in Hydrology. IAEA, Vienna, pp.285-387. Fontes, J.Ch. (1992): "Chemical and Isotopic Constraints on 14C Dating of Groundwater". In: R.E. Taylor, A. Long and R.S. Kra (Ed.) Radiocarbon After Four Decades. Springer-Verlag, New York. Pp.242-261.

Gupta, S.K.< Lal, D., Sharma, P. (1981): "An Approach to Determining Pathways and Residence Time of Groundwaters: Dual Radiotracer Dating". Jour. Geophys. Res., Vol.86(C6), pp.5292-5300.

L.

Guymon, G.L. (1972): "Notes on the Finite Element Solution of Diffusion Advection Equation". Water Resour. Res., Vol.8, pp.1357-1360. Lehmann, E.E. and Loosli, H.HY. (1991): Chapter 6. "Isotopes Formed by Underground Production". In: F.J.Pearson et al. (Eds.), Applied Isotope Hydrogeology, A Case Study in Northern Switzerland. Studies in Environmental Science 43. Elsevier, Amsterdam, 439p.

Phillips, F.M., Bentley, H.W., Davis, S.N., Elmore, D., Swanik, G. (1986): Chlorine-36 "Dating of Very Old Groundwater" 2. Milk River Aquifer, Alberta Canada. Water Resour. Res., Vol. 22, pp.2003-2016. Scheidegger, A.E. (1961): "General Theory of Dispersion in Porous Media". J. Geophys. Res. Vol.66, pp.3273-3278. Wigley, T.M.L., Plummer, L.N., Pearson, Jr., F.J. (1978). "Mass Transfer and Carbon Isotope Evolution in Natural Water Systems". Geochim. Cosmochim. Acta, Vol.42, pp.1117-1139.

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Geyh, M.A. (1992): "The 14C Scale of Groundwater, Correction and Linearity". In: Isotope Techniques in Water Resource Development 1991, IAEA, Vienna, pp.167177.

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Modelling in Hydrogeology

Fig. 1: Dual Tracer log-log plot depicting expected variation in the concentration of radiocarbon and chlorine-36 in a groundwater system for various models of flow and mixing conditions. The units are: C/C0, dimensionless; x = m; u = m.a-1; D = m2a-1; p = a-1. Note that curves for different values of D/u2 with no leakage influx of relatively young water (i.e. p = 0), plot as straight lines in the region lying between the PFM and the limiting case for DA model for D/u2 . The model groundwater age (t = x/u) increases as the data point moves away from the origin, O, along any particular curve. As an aid to quick estimation DA model groundwater age, lines joining the points with three values of t = x/u (105, 106 and 107 a) across the straight lines for different values of D/u2 are also shown. Fig. 2: The 14C and 36Cl/Cl- data of (Cresswell et al., 1999a, b) from central Australia plotted on the Dual Tracer log-log plot. The inset shows depth variation of 14C for Ngalia and Cainozoic basin samples. C0 for 14C was assumed = 8510 pMC and for 36Cl/Cl- = 20010 (x10-15). Please note that no samples plot above the PFM line (Region-OABO) but several samples do plot outside the theoretical plotting area for any of the three flow models (Region-OGEFO) indicating dissolution of `dead' chloride during flow through the aquifer (also refer to Table-1). Fig. 3: Piston flow model for different values of the parameter E representing the rate constant (a-1) of chloride addition during passage of groundwater through the aquifer. Lines joining equal PFM ages across lines for different values of E are parallel to the ordinate axis. Also plotted are the 14C and 36Cl/Cl- data points of (Cresswell et al., 19899a, b) from central Australia. This plot can be used to estimate the model groundwater age (tpf) and the value of E for any given data point under the assumption that piston flow model is applicable. Fig. 4: The same as in Fig. 3, but for the well-mixed reservoir (WMR) model. Fig. 5: The same as in Fig. 3, but for the dispersion- advection (DA) model with different values of D/u2 and E parameters.

L.

Fig. 6: Variation of oxygen isotopic composition of groundwater samples with their chloride concentration. Data from (Cresswell et al., 1999a). Also plotted on this diagram are the estimated initial (Cl-0) values of chloride concentration for respective samples at the time of recharge based on different flow models and addition of chloride by interaction with aquifer material. Two enclosed areas A & B contain samples that do not show much significant change from their measured Clconcentrations for any of the flow models. These also derive from two different groundwater flow regimes originating in the north (Ngalia Basin) and south (Arunta Block-Amadeus Basin). See Fig.2 of (Cresswell et al., 1999a) for geographical locations.

El

190

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Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.191-207

F. Stagnitti and L. Elango

Monitoring and modelling nutrient dynamics in cultivated soils is often complicated by the non-random spatial and temporal variation in the physical, chemical and biological properties. It is common practice to measure soil properties in the laboratory using homogeneously mixed, airdried soils collected from just below the rooting zone of agricultural soils. However, leaching experiments using repacked, sterile, homogenised soil cores bear little resemblance to the physical reality since channels and paths that normally transmit water and nutrients are destroyed. Recent experiments illustrate how important soil structure is to understanding the nature of nutrient transport. This paper discusses how soil structure plays an important role in moisture and solute transport below the soil surface. The paper also presents mathematical models for describing physical transport and evaluates the performance of two solute transport models developed for the purpose of describing small-scale nutrient dynamics. In conclusion, we contend that a better knowledge of the factors causing preferential transport of nutrients in cultivated field soils is required for sustainable agricultural management. Keywords : Modelling of nutrients, unsaturated zone, nutrients transport, solute transport, field soils INTRODUCTION

L.

1.

The movement of chemicals below the rooting zone in agricultural soils to the groundwater or discharged to surface waters can pose a serious degradation of these resources. In many countries, this form of pollution results in serious environmental and economic problems. The chemicals of interest include nutrients, pesticides, salts and waste materials such as heavy metals. In the case of nutrients, leaching losses also represent a decline in soil 191

El

an go

Abstract

Modelling in Hydrogeology

fertility, and in the case of nitrate leaching, reduction of productivity due to soil acidification, stream and lake eutrophication and domestic drinking water pollution. Recent experiments have shown that current models and methods do not adequately describe the leaching of nutrients through soil, often underestimating the rate of transport through the vadose zone and overestimating the concentration of resident solutes in the root zone (de Rooij and Stagnitti, 2000; Evans, et al. 1995; Evans, et al. 1996; Stagnitti 1998; Stagnitti, et al. 1998; Stagnitti, et al., 1999, Stagnitti, et al., 2001; Allinson, et al. 1999ab; Graymore, et al. 1999; Kelsall, et al. 1999; Ueoka, et al. 1999; Allinson, et al. 2000ab). This inaccuracy results from ignoring soil structure and non-equilibrium between soil constituents, water and nutrients. 2. EXPERIMENTAL METHODS

L.

3.

The most challenging problem confronting mathematical modelling of solute transport in soils is how to characterise and quantify the geometric, hydraulic, and chemical properties of the porous media. To reduce the complexity involved in modelling the transport process, many models are based on assumptions of homogeneous soil structure and instantaneous sorption - sometimes referred to as the LEA (linear equilibrium adsorption) assumption. The general equation governing contaminant transport under saturated, steady flow conditions, and with chemical reaction, has the form of the classical advection-dispersionreaction equation:

El

192

The use of undisturbed soil columns offer the best means of studying nutrient transport under field conditions because they preserve the natural structure of the soil (Stagnitti, et al. 1998). Large undisturbed soil cores (42.5 x 42.5 cm wide x 40 cm deep) were extracted from several sites in Australia. Multisegment percolation systems (MSPS) were constructed to sample moisture and chemicals leaching from these soil cores. The MSPS consists of a metal-alloy base-plate that is shaped into 25 equal sized collection wells (funnels) or mini-catchments. The dimension of each well is 6 x 6 cm. Each well consists of a spring, a thin stainless steel plate and a length of fibreglass wick. The purpose of the wick is to act as a hanging column, providing a moderate capillary force in order to sample moisture and solutes during unsaturated flow conditions. The MSPS was designed so that each well collects moisture and solutes in the neighbourhood of the wick. Once mounted on the MSPS, the soil cores were irrigated with distilled water for several months prior to the application of nutrient solutions. Further experimental details were presented in (Stagnitti, et al. 1998; 1999).

an go

Modelling in Hydrogeology

C 2C C = D 2 V C t z z

(1)

where R is the retardation factor (which is equal to 1 + k/!where! !is the soil bulk density, k is the distribution coefficient of absorption, and is the water content); is the reaction rate coefficient, D is the dispersion coefficient and V is the pore water velocity. The ADRE has a simple form because it describes an ideal process, that is equilibrium transport. However, the LEA assumption is seldom valid in field soils. Non-ideal transport (non-equilibrium transport), as observed in many experiments, is more the norm than the exception. The causes of non-equilibrium transport in soils are soil heterogeneity and non-equilibrium chemical sorption. Non-equilibrium transport is due to physical phenomena reflecting the heterogeneous properties of soils. Here, we examine the non-equilibrium transport caused by possible preferential flow through an undisturbed soil column. Considering the bicontinuum conceptualisation, a two-region solute transport model (TRM) can be developed to describe non-equilibrium solute transport in aggregated soils (van Genuchten and Wierenga 1976; van Genuchten and Alves 1982; Li, Barry et al. 1994). The governing equations are,

El

193

C m 1 C im 2Cm C m R + =D Vm 2 t t z z 1 C im = (C m C im ) t

an go

(2a) (2b)

where subscripts m and im denote regions in which mobile and immobile solute transport may occur; is the ratio of the mobile region to the entire pore volume, ie., = m/(m+im), is water content; Vm is the flow velocity in the mobile region and the velocity in the immobile region is zero by definition (so the averaged flow velocity is Vm ); is the rate coefficient (in the non-dimensional form, = L/Vm, L is the column length). The bicontinuum concept physically represents the soil structure in aggregated soils. The region within the aggregates is the immobile region where water and nutrients are stagnant except for lateral diffusion. The region between the aggregates is the mobile region where water and nutrients move due to advection and dispersion. The lateral diffusion has been simplified by using the first-order equation (2b). Although this model was originally developed for solute transport in aggregated soils, it is often used to model other non-equilibrium transport processes.

L.

Modelling in Hydrogeology

Temporal moment analysis is a useful statistical technique for quantifying solute transport properties independently from an underlying mathematical model such as the ADR or TRM. The moment generating function for a continuous function, f(t) is

Mp

t p f (t) dt

(3)

where the subscript p = 0, 1, 2, 3 represents the zeroth, first, second, third moments, etc. The first moment is the expectation or mean, the second is the variance and the third and fourth represent the skew and kurtosis of f(t) respectively. In solute transport studies, the solute breakthrough curve (BTC) in dimensionless form is represented by f(t) = C(z,t) / Co (4)

where Co is the initial solution concentration at time t = 0. The zeroth order moment, Mo [T], represents the dimensionless mass.

M0

C(z, t) / C0 dT

an go

<n > p

(5)

(6)

L.

= 1<n> =! M1 / Mo 1 M0 p =

p<n> = Mp / Mo

El

!

0

where Mo<in> [T] is the mass of the input pulse. The mass balance ratio, expressed as a percentage, gives the percentage recovery of the solute at depth L; the difference (1 - r) % is the percentage lost to adsorption, degradation, precipitation, volatilisation and other processes.The normalised moment, p<n>, is defined by : (7)

The first normalised moment is the mean concentration breakthrough time, ! [T] :

(8)

(T 1

C(z, t) / Co dT ; p = 0, 1, 2

(9)

The second central moment 2 [T2], quantifies the variance of the BTC, a measure of the typical spread of the BTC in relation to the mean breakthrough time. The standard deviation, [T], is given by the square root of the second central moment.

194

Modelling in Hydrogeology

(10)

The dispersivity, , can be related to the Advective-Dispersion equation (ADE) by the following : = D/V (12)

V=

1 T c

q(t) dt

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195

(13)

! S = 3 / 23/2

El

where q(t) [L T-1] is the Darcy flux and c [L3 L-3] the calculated volumetric water content. The third central moment characterises the asymmetry of the BTC and can be used to calculate a non-dimensional skewness parameter, S, defined by (14)

A positive value for S reflects a distribution with an asymmetrical tail extending to the right of the peak concentration. A negative value indicates a distribution with a long tail to the left of the peak concentration. Therefore, asymmetric BTCs with early peak concentrations and increased tailing to the right, ie. S > 0, qualitatively reflect the existence of preferential flow. To calculate the temporal moments and associated parameters in the equations above, previous studies have used cubicspline interpolation to first smooth the experimental BTCs before subjecting it to numerical integration with either the trapezoidal or Simpsons formulae. However, we prefer to fit easily integrable analytical functions (e.g. polynomials) to the experimental BTCs using an automated nonlinear least squares data fitting package, thus avoiding the usual problems associated with numerical integration techniques. The procedure first determines a suitable analytical approximation to the experimental BTC, then integrates this function analytically with the aid of a ymbolic software package such as Mathematica. Herein we report the use of the TMA to investigate solute transport parameters in the nutrient study and compare and contrast these results with the ADR and TRM.

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Modelling in Hydrogeology

4.

p(x; , ) =

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and

(+ ) 1 x (1x) 1 ; for 0, 0, 0 x 1 () ()

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2 x = +

2

A heterogeneity index is invaluable in comparing and contrasting the behaviour of soil-water and solute distributions in single soil column experiments or across several experiments. The index of heterogeneity may also be used as a decision support tool to assess the potential risk of groundwater contamination by surfaceapplied chemicals. For example, low values for the heterogeneity index imply uniformity in flow of soil-water and/or solutes and consequently the potential risk of groundwater contamination by preferential flow is small. On the other hand, a high value for the heterogeneity index may indicate significant preferential flow with the consequent danger of groundwater contamination. The heterogeneity index suggested by (Stagnitti, et al. 1999) requires only a knowledge of the soil-water percolation or solute elution curve as derived from in-situ field samplers or laboratory tests on undisturbed soil cores. Thus it is easy to calculate. The development of the heterogeneity index is restated here. We seek a continuous probability distribution that has a random variable bounded by extreme values that are both finite and positive. The distribution must be generally skewed to account for the observed nature of the BTC and the amount of skew determined by parameters of the distribution. The beta and triangular distribution fit these criteria. The triangular distribution has all the desirable properties but is discontinuous. Other continuous distributions such as gamma, exponential, Wiebull and Pearson fail to meet one of more of the criteria. The standard beta function is defined as,

(15)

where is the gamma function (or Eulers integral of the second kind) and and are free parameters. Eq. (15) is often used in Statistics to model the variation in the proportions of a quantity occurring in different samples. It also has the properties of finite positive intercepts, bounded in the interval [0,1], in the x-axis and adjustable skewness. These are the desired properties we seek. We now use properties of the beta distribution to develop a heterogeneity index for water percolation and solute elution in multi-sample percolation experiments. Note that if and are both equal to one, then Eq. (15) reduces to the uniform density function, p(x, 1, 1) = 1. The expectation (or mean) and variance of Eq. (15) are respectively defined by

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x = ( + )

( + + 1)

(16)

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c(x; , ) =

x 0

(17)

where t is a variable of integration. The standard deviation to mean ratio is often used as a measure to compare dispersion between populations with different means. In a similar manner, we define a (scaled) heterogeneity index (HI) as

HI( , ) =

3 x = x

3 ( + + 1)

(18)

5.

Actual and fitted solute breakthrough curves (BTCs) for each nutrient are presented in Figures 1 to 3. The actual data are represented in each figure by diamonds and fitted analytical functions used to calculate the temporal moments are represented by solid lines. Considerable asymmetry is exhibited for chloride and nitrate-nitrogen leachate, with early peaks, long tails to the right and positive skew. The BTC for phosphate-phosphorus exhibits a more symmetrical appearance. Table 1 presents a summary of actual and fitted solute transport parameters for each model as well as observed experimental values. The breakthrough curves for both chloride and nitrate-nitrogen appear very similar, with time to peak concentrations occurring just 3 to 4 days after application. Phosphate-phosphorus on the other hand peaked at 11 days after application. The leached mass to applied mass ratios for Cl, NO3-N and PO4-P were 129%, 68% and <1% respectively, indicating possible cation exchange in the case of chloride, nitrification and mineralisation in the case of nitrate and strong adsorption of phosphate. Stagnitti, et al., (1998) reported that most of the phosphate was bound to the first 2 cm of the surface soil. The rate of evapotranspiration was determined from a water budget over 18 days. The average rate was approximately 25%. Using this value, the initial solute concentrations in the applied irrigation were determined to be C0_Cl = 6186.10 mg/L, C0_NO3 = 273.65 mg/L and C0_PO4 = 4724.10 mg/L. The duration time (or input pulse) for irrigation of the solutes was T = 0.484 days.

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197

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where 3 is a factor that results from scaling HI to one when both and !equal one. Thus a uniform distribution will result in HI = 1 and a non-uniform distribution is indicated when HI > 1. For our purposes, Eq. (18) is valid for HI(,") # 1. The magnitude of HI greater than one indicates the magnitude of non-uniformity in the distribution. The heterogeneity index (Eq. 18) may be used to quantify apparent spatial or temporal heterogeneity in water and solute distribution patterns in percolation experiments. This is illustrated in the next section.

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Optimal three-parameter analytical functions were fit to the experimental data using an automatic least squares fitting procedure. These functions are shown in Figures 1 to 3 by the solid lines.

0.08 0.07 0.06 0.05 0.04 0.03 0.02 0.01 0.00 0

Actual Fitted

Fig. 1: The breakthrough curves for chloride. Experimental data are diamonds and the fitted function used to calculate temporal moments is the solid line.

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0.045 0.040 0.035 0.030 0.025 0.020 0.015 0.010 0.005 0.000 0 5 10

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15 20

Fig. 2: The breakthrough curves for nitrogen-nitrate. Experimental data are diamonds and the fitted function used to calculate temporal moments is the solid line.

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5 10 15 20

Time (days)

Actual Fitted

Time (days)

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3.5E-04 3.0E-04 2.5E-04 2.0E-04 1.5E-04 1.0E-04 5.0E-05

Actual Fitted

Fig. 3: The breakthrough curves for phosphorus-phosphate. Experimental data are diamonds and the fitted function used to calculate temporal moments is the solid line.

The fitted functions coefficients of determination were r2 = 0.92, 0.96 and 0.86 for Cl, NO3-N and PO4-P respectively. As the purpose of the fitting was to obtain easily integrable analytical functions, the exact form of the function is irrelevant. The best fitting 3-parameter functions as determined by the highest r2 that also have the correct characteristics, e.g. smooth first derivatives, finite ranges and asymptotes that tend to zero as time tends to both zero and infinity, were selected for each nutrient. The advantages of fitting analytical functions to the experimental data are that they are easy to fit, tend to smooth out experimental noise and avoid the usual problems associated numerical integration of data. Temporal moment analysis (equations 3 to 14) was applied to each function to obtain the solute transport parameters presented in Table 1. The predicted mass ratios, r = 117%, 76% and 0.6% were very close to the observed ratios. Also the predicted time to peak concentrations and peak concentrations were also very close to the experimental values. The mean travel time , represents an average breakthrough time. For symmetrical distributions the mean travel time is equal to the time to peak concentration. Thus differences between these two parameters reflect the degree of asymmetry and possible preferential flow. For this reason, it is therefore important to report both these statistics in solute transport studies. The mean travel time represents a bulk breakthrough whilst the time to peak concentration represents possible preferential flow in front of the bulk breakthrough. For both Cl and NO3N, the time to peak concentration was some 4 days prior to the mean travel time, whilst for PO4-P, the mean travel time was almost identical to the peak concentration time. These results are also confirmed by the values of the skew coefficient. The values for both Cl and NO3-N are considerably greater than zero,

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5

0.0E+00

Time (days)

10

15

20

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indicating significant positive skew and asymmetry, whilst the skew value for PO4-P was close to zero, indicating symmetry. The predicted values for the dispersivity, , for Cl and NO3-N were between 11 and 12 cm, about of the length of the soil column, and for PO4-P, 4.3 cm. These values appear to be quite consistent with expectation.

Table 1. Summary of solute transport parameter values for each model. Chloride Common Parameters (From Experiment) Column Length, L (cm) Initial Concentration, Co (mg/L) Nitrate Phosphate

Time of Input Pulse, T (days) Time to Peak Concentration (d) Peak Relative Concentration (C/Co) Applied Mass (mg) Leached Mass (mg) Mass Ratio, r (%)

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Temporal Moments Analysis (TMA) Mass Ratio, r (%) Mean Time, !(d) Time to Peak Concentration (d) Peak Relative Concentration (C/Co)

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Advection-Dispersion-Reaction Model (ADR) Mass Ratio, r (%) Mean Time, !(d) Time to Peak Concentration (d) Peak Relative Concentration (C/Co)

Standard Deviation (d) Skew Dispersivity,! (cm) Retardation Factor, R Reaction Rate, ! (d-1) Pore Water Velocity, V (m/d)

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0.484 4 0.073 0.484 3 0.041 6987 9039 129.4% 404 273 67.6% 117.0% 8.7 4 0.068 6.6 11.3 0.88 76.0% 8.2 4 0.040 6.6 12.8 0.58 102.0% 9.7 3 0.051 7.4 0.65 11.7 1 0 0.051 71.4% 8.7 3 0.04 6.7 0.54 11.7 1.06 0.035 0.051

40 6186

40 274

40 4724

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Two-Region Model (TRM) Mass Ratio, r (%) Mean Time, !(d) Time to Peak Concentration (d) Peak Relative Concentration (C/Co)

0.006

0.006

0.006

118.0% 118.0% 9.6 8.6 3 4 0.071 0.059 7.7 0.79 3.7 1 1.72 0.47 0.027 0.001 8.6 0.57 3.7 1.27 1.72 0.47 0.027 0.001

Table 1 also presents predicted solute transport values from fitting the ADR and TRM models to the experimental data. For each simulation, it was assumed that the initial, resident concentrations of solutes in the soil prior to application of the nutrient solution were negligible, ie. Ci = 0 mg/L. First, the ADR and TRM were fitted to the Cl data assuming that Cl behaves as a conservative element, that is = 0 (no reaction) and R = 1 (no adsorption). The optimal values for the fitted parameters in the ADR were V = 0.051 m/d and D = 0.006 m2/d. Note that the model failed to match the data at the peak. The predicted peak relative concentration was 0.051 in comparison to the observed value of 0.073. Also the ADR significantly underestimated the mass ratio due to the under-prediction of the peak concentration. The lack of agreement is due to the failure of the ADR to model the non-equilibrium effects caused by the obvious heterogeneity in percolation rates reported by Stagnitti, et al., (1999). The fitted velocity and dispersion coefficients, however, are within the experimental constraints. The TRM was fitted to the Cl data and the optimal values for the model parameters were Vm = 0.057 m/d, D = 0.001 m2/d, = 0.47 and = 1.72. The predicted time to peak and peak concentrations are in excellent agreement with the experimental values, suggesting that non-equilibrium transport of Cl has occurred. The results also confirm the veracity that little to no retardation of chloride in the core occurred (ie. R = 1). The fitted parameter values are also within experimental constraints and they have physical meaning. In particular, the averaged flow velocity, calculated according to Vm" is in accordance with the experimental data. The fitted value for is close to 0.5, which indicates that nearly 50% of the pore volume is actively responsible for Cl transport. This too is supported by experimental observations reported by Stagnitti, et al., (1998).

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Standard Deviation (d) Skew Dispersivity,! (cm) Retardation Factor, R Mass Transfer Rate, ! Mobile Water Fraction, ! Pore Water Velocity, V=Vm!, (m/d) Dispersion Coefficient, D (m2/d)

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The BTC for NO3-N was fitted to both the ADR and TRM and the results are shown in Table 1. In this case, knowledge gained from fitting the BTCs for Cl is used to fit the BTC for NO3-N. The values for V and D determined from fitting the ADR to the Cl data set are used for the NO3-N data set, as these in principle should not be different. However, adsorption and reaction of NO3 is possible and therefore permitted ie. R and should be free parameters and their values determined by optimisation. The optimal values for R and were found to be 1.06 and 0.035 d-1 respectively, indicating a small adsorption and significant reaction rate. These parameter values make sense physically and result from mineralisation and denitrification in the soil. The fit is surprisingly good even though the ADR ignores soil heterogeneity, e.g. accurate predictions for the mass ratio and travel times when compared with the experimental observations. For similar reasons to before, the values for the parameters Vm, D, !and in the TRM were fixed to be the same values as those determined for the Cl BTC. In this case, however, the only free parameter is R since we have no analytical solution for the TRM with reaction. The optimal value for R was found to be 1.27, indicating considerably more adsorption than the ADR. The TRM clearly over-predicted the concentration peak and mass ratio. This is not a surprising result since the TRM in its present form does not contain a reaction term. The better performance of ADR in this case most likely results from the extra freedom of having two free parameters rather than one. Indeed, if the TRM included reaction, then the performance for nitrate prediction using this model will undoubtedly improve. The predicted value for the dispersivity seems to be very large, particularly when compared with the value obtained using the temporal moments method. The phosphate experimental data showed strong adsorption and reaction (see Table 1). For this reason we did not fit the TRM to this data set as the results would be meaningless if reaction is not considered. Table 1 presents the results for the predicted solute transport parameters using the ADR with V and D fixed to the same values as determined for the Cl BTC and R and ! fitted by optimisation. The optimal values for R and were 8.117 and = 1.781 d-1 respectively, indicating as expected, very strong adsorption and quick reaction. The ADR predicted the solute transport parameters reasonably well. Again the good performance of the ADR here does not necessarily imply that non-equilibrium transport is negligible; rather it may be due to the extra freedom in the fitting process. Also the reaction rate appears to be too fast to be physically realistic. Again, the predicted value for the dispersivity seems to be too large when compared with the TMA.

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The model for the heterogeneity index (equations 15 to 18) may be applied to any experiment in which multiple samples of the solute and water flux are determined 202

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A B C

Fig. 4: Fitted (solid lines) and actual (dashed lines) solute elution curves for phosphate (A), chloride (B), nitrate (C), for a soil monolith collected from Grassmere, Victoria, Australia and chloride (D) for a soil collected in a coastal dune of South-West Holland.

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B C E

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Fraction of Area

Fig. 5: Fitted (solid lines) and actual (dashed lines) soil-water elution curves for soil monoliths collected from five different sites in Australia : Tower Hill (A), Rutherglen-2 (B), Grassmere (C), Redland Bay (D), and Rutherglen-1 (E).

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Fraction of Area

Modelling in Hydrogeology

actual experimental technique used to determine the soil-water or solute elution. Figures 4 and 5, present patterns of soil-water percolation and solute elution for a series of experiments conducted in Australia and the Netherlands. The experimental details are reported in Stagnitti, et al., (2000) and de Rooij and Stagnitti, (2000). The heterogeneity indices and statistical results are presented in Table 2.

Table 2. Heterogeneity indices calculated for a series of experiments conducted in Australia and Holland. Experiment Fig. x 2x

HI 1

Solutes

Figure 4 presents the results of solute leaching experiments conducted in Grassmere, Australia (Stagnitti, et al., 1998) and in the south-west of Holland (deRooij and Stagnitti, 2000). The observed fraction of total solutes (dots) eluted by the soil is plotted with the fraction of total sampling area of the base of the collection apparatus. These curves were constructed by calculating the fraction of the total mass collected by each individual lysimeter in a multi-sample percolation system, ranking these values in descending order and plotting them with the cumulative cross-sectional sampling area. If the soil core was eluting solute mass at a uniform rate, then there would be no spatial variation in the amount of solute collected by each lysimeter, i.e. each collection lysimeter would contribute an equal mass of solute to the total. In other words, if the soil leached solutes equally everywhere, then the fraction of the total mass plotted with the cumulative cross-sectional area of the base would fall on a 1 to 1 line. Departures from a 1 to 1 line indicate heterogeneity or potentially preferential flow. On each figure, the fitted cumulative beta distribution c(x), given by Eq. (17), is also plotted. The fitted statistical distribution is represented by a continuous (solid) line. For each solute, the cumulative beta distribution fits the experimental data very well. The optimal values for the fitted shape parameters, and are presented in Table 2 along with the 204

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Grassmere-P Grassmere-Cl Grassmere-N SW Holland-Cl Moisture Tower Hill Rutherglen-2 Grassmere Redland Bay Rutherglen-1

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4A 4B 4C 4D 5A 5B 5C 5D 5E 0.2411 0.9199 0.8755 0.7499 0.4527 0.8477 0.7775 0.8651 0.8885 2.034 1.935 1.524 1.353 1.699 3.993 1.582 1.842 1.835 0.1060 0.3222 0.3647 0.3567 0.2105 0.1865 0.3295 0.3196 0.3262 0.02892 0.05665 0.06817 0.07396 0.05275 0.03725 0.06576 0.05867 0.05900

Uniform

1/2

1/12

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calculated descriptive statistics for the mean, variance and heterogeneity index, HI. The optimisation of the free parameters was achieved very efficiently and simply using the BetaDistribution, CDF and NonLinearRegress functions in Mathematica. The calculated heterogeneity indices for phosphate, nitrate and chloride were 2.78, 1.24 and 1.28 respectively for the Australian site and 1.32 for chloride in the site in Holland. All HIs were larger than one, indicating heterogeneity in solute leaching patterns. Phosphate exhibited the highest heterogeneity with just 20% of the soil core leaching 80% of total leached phosphate, indicating that phosphate was very strongly adsorbed to the soil. Figure 5 illustrates the spatial variation in soil-water percolation patterns for all Australian experiments. Like Fig. 4, the solid line represents the fitted cumulative beta distribution. In all cases the beta distribution fit the experimental data very well. The values for the free parameters and descriptive statistics are also presented in Table 2. The Tower Hill site exhibited the strongest heterogeneity in soil-water percolation with HI = 1.89. For this soil, about 60% of the drained soil-water was collected from about 20% of the base area. The Rutherglen-2 experiment also exhibited considerable heterogeneity, HI = 1.56. All other sites showed considerable heterogeneity ranging from HI = 1.28 to 1.35. In the field prior to extraction, the Rutherglen soil cores were separated by about 1 m. The HIs for the two Rutherglen cores differed considerably (HI = 1.29 and 1.56). This result suggests that considerable heterogeneity was not only evident within the cores but also between them, an important confirmation of the difficulty of scaling small-scale transport phenomena to forecast field-scale effects.

6. CONCLUSIONS

Soil structure plays a very important role in influencing nutrient dynamics in agricultural soils. An experimental framework for measuring the extent of soil physical and chemical heterogeneity was developed. The experimental results indicated strong preferential flow characteristics in both moisture and nutrient fluxes over a small spatial scale. Consequently, accurate prediction of nutrient loading in field soils is very difficult. Very few mathematical models adequately represent spatial and temporal heterogeneity in soil physical and chemical properties. The performance of two commonly used models in solute transport studies, the ADE and TRM were contrasted and compared to simple statistical results obtained from temporal moments analysis of the breakthrough curves from nutrient leaching experiments. The ADE model performed reasonably well even though the experimental data suggested considerable heterogeneity in percolation rates and concentration. However, the comparative good fits for BTCs may be spurious, resulting from the freedom of having two free parameters. At present, there are no published analytical solutions for the TRM with a reaction term. Consequently, the TRM in its present form can only be expected to perform well for solutes that have negligible reaction times. A simple, efficient and effective method of quantifying the level of heterogeneity in soil-water percolation and solute elution patterns

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generated from multiple sample percolation experiments was also presented. The method relies on calculating a heterogeneity index based on estimating two free parameters of the beta-distribution. Using this index, the elution patterns for a number of solute leaching experiments was compared and contrasted. The index may be a valuable tool in estimating the potential risk of groundwater contamination by the preferential transport of chemicals through the vadose zone.

REFERENCES:

Allinson, G. and Stagnitti, F. (2000), 'Behavior of 'Organic' and 'Synthetic' Fertilizer Nutrients When Applied to Irrigated, Unsaturated Soil'. Bulletin of Environmental Contamination & Toxicology. Vol. 64, No.5, pp. 644-650.

Allinson, M., Williams, B. (1999), "Environmental fate of pesticides used in Australian viticulture". IV. Aqueous stability of dithianon. Toxological & Environmental Chemistry, Vol. 70, pp. 401-414. Allinson, M., Williams, B. (1999), Environmental fate of pesticides used in Australian viticulture. III. Fate of dithianon from vine to wine. Toxicological & Environmental Chemistry, Vol. 70, pp. 385-400.

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Evans, L. and Sherwood, J. (1995), "Preferential flow of nutrients into groundwater in Victoria's western district. Groundwater & The Community, Murray-Darling 1995 Workshop, Wagga", Environmental Geoscience & Groundwater Division, AGSO, Canberra. Evans, L. and Stagnitti, F. (1996), "Nutrient transport through basaltic agricultural soils near Warrnambool: Evidence of preferential flow". Australian and New Zealand National Soils Conference: Soil Science - Raising The Profile, Volume 2, Oral Papers, University of Melbourne. Graymore, M. and Allinson, G. (1999), "Environmental fate of pesticides used in Australian viticulture. V. Behaviour of atrazine in the soils of the South Australian Riverland". Toxological & Environmental Chemistry, Vol. 70, pp. 427-439.

Kelsall, Y. and Allinson, M. (1999), "Leaching of Copper, Chromium and Arsenic in a soil of the South West Victoria", Australia. Toxological & Environmental Chemistry, Vol. 70, pp. 375-384. Li, L. and Barry, D. A. (1994), "Mass transfer in soils with local stratification of hydraulic conductivity". Water Resources Research, Vol. 30, pp. 2891-2900. 206

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de Rooij, G. H. and Stagnitti, F. (2000), "Spatial variability of solute leaching: Experimental validation of a quantitative parameterization". Soil Science Society of America Journal, Vol. 64, No. 2, pp.499-504.

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Allinson, G., Stagnitti, F. (2000), "Comparison of behavior of natural and synthetic phosphate fertilisers in a moderately water-repellent, sandy loam soil under winter rainfall". Communications in Soil Science & Plant Analysis Vol. 31, No. 19&20, pp. 3027-3035.

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Stagnitti, F. (1998), "Modelling Preferential Transport of Soil Micro-Organisms : Implications For Land Disposal of Sewage". Canberra, Land & Water Resources Research & Development Corporation: 7.

Stagnitti, F., Li, L., Allinson, G., Phillips, I., Lockington, D., Zeiliguer, A., Allinson, M., Lloyd-Smith, J. and Xie, M. (1999), "A mathematical model for estimating the extent of solute- and water- flux heterogeneity in multiple sample percolation experiments". Journal of Hydrology, Vol. 215, No. 1-4, pp. 59-69. Stagnitti, F., Sherwood, J., Allinson, G., Evans, L., Allinson, M., Li, L. and Phillips, I. (1998), "An investigation of localised soil heterogeneities on solute transport using a multisegement percolation system". New Zealand Journal of Agricultural Research, Vol. 41, pp. 603-612.

Stagnitti, F., Li, L., Barry, D. A., Allinson, G., Parlange, J.-Y.,Steenhuis, T., and Elango, L. (2001), "Modelling solute transport in structured soils: Performance evaluation of the ADR and TRM models". Mathematical and Computer Modelling, Vol. 34, No. 3-4, pp. 433-440.

van Genuchten, M. T. and Alves, W. J. (1982), "Analytical solutions to the onedimensional convection-dispersion solute transport equation". USDA Tech. Bull. 1661. van Genuchten, M. T. and Wierenga, P. J. (1976), "Mass transfer studies in sorbing porous media I. Analytical solutions". Soil Science Society of America Journal, Vol 40, No.4, pp. 473-480.

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Ueoka, M. and Allinson, G. (1999), "Environmental fate of pesticides used in Australian viticulture II. Behaviour of vinclozolin and dithianon in an acidic soil of the Rutherglen region of Victoria, Australia". Toxological & Environmental Chemistry, Vol. 70, pp. 363-374.

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Stagnitti, F.and Allinson, G., Morita, M., Nishikawa, M., Ii, H., and Hirata, T. (2000), "Temporal moments analysis of preferential solute transport in soils". Environmental Modelling & Assessment, Vol. 5, No. 4, pp. 229-236.

Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.209-225

N. Rajmohan and L. Elango

Keywords : Unsaturated zone, chloride, nitrogen, solute transport model, field study.

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1.

INTRODUCTION

Application of agricultural chemicals, dumping industrial and domestic wastes at the land surface or within the unsaturated zone may have considerable impact on the quality of groundwater. Among these, agricultural chemicals are the most significant anthropogenic source of groundwater contamination. Understanding the fate of dissolved chemicals within the unsaturated zone can greatly aid in prediction of the chemistry of water that reaches the aquifers. Such an understanding would also allow for evaluation of different preventive or remedial actions to protect the valuable groundwater resources. Computer models of water and solute movement in the unsaturated zone are useful tools for gaining insight into the processes that occur within the unsaturated zone. Tim and Mostaghimi (1989) developed a mathematical model to predict the fate of pesticides and their metabolites in the unsaturated zone of the soil, for a better understanding and estimation of different mechanisms affecting their transport. Boateng and Cawlfield (1999) developed a two-

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Study of the movement of water and solute within the soil profile is important for various reasons. Accumulation of prominent contaminants from agricultural chemicals in the unsaturated zone over the years is the major cause for concern in many parts of the world. As a result, the unsaturated zone has been a subject of study during the past decade. Such a study was carried out with the objective of understanding the movement of chloride and nitrogen below an irrigated land near Chennai, India. Variation of chloride and nitrogen in the unsaturated zone below this land were studied by systematic collection and analysis of soil core samples periodically during a cropping season. The field observation has lead to conceptualisation of the system, and then the movement of these ions in the unsaturated zone was simulated using a solute transport model. The model predictions were reasonably close to the observed trends. The model was used to study the impact of possible changes in the fertiliser usage in this area.

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Abstract

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dimensional probabilistic transport model by coupling a reliability algorithm to a two-dimensional unsaturated flow and transport model to determine the significance of the uncertainty of each variable to the probability outcome. Present study was carried out with the objective of understanding the movement of chloride and nitrogen below an intensively irrigated land, 70 km west of Chennai, India. The most widely used fertilisers in this area contain chloride, nitrogen, phosphorus and potassium. As chloride and nitrate are the major pollutants that reach the groundwater due to their high mobility, these two ions were considered for modelling. The HYDRUS model (version 2.0) developed by the International Groundwater Modelling Centre (Simunek et al 1999) was used in this study. This model is capable of simulating water flow and solute transport in variably saturated media. 2. FIELD STUDY

3.

MODEL DESCRIPTION

HYDRUS model numerically solves the Richards equation for variably saturated water flow and conversion - dispersion type equation for solute transport. The Galerkins finite element method (Neuman 1975) with linear basis functions is used to obtain a solution for the water flow equation. In this method, the solution is obtained by iterative process using Gaussian elimination. Similarly the same Galerkin finite element method is also used to solve the solute transport equation. To obtain numerical solution of the solute transport process, first, an iterative procedure is used to obtain the solution of the Richards equation. These methods of solution are relatively standard and have been explained in detail by Simunek et al (1999). In this study, modelling of solute transport for the study site (Fig.1) was carried out for the unsaturated zone of 5 m thickness, as water table occurs at this depth. Solute transport was considered to be one dimensional vertical flow in a column of unit width and a length of 5 m. As irrigation return is the major source of flow in the unsaturated zone, one dimensional vertical flow was assumed.

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In an irrigated land identified for this study (Fig.1), soil core samples of 1m length, where collected at different days during cultivation of paddy. From each of the soil core samples, sub samples were collected at an interval of 10 cm, and analysed for the concentration of chloride and nitrogen. All these sub soil samples were subjected to grain size analysis to determine the silt, clay and sand percentage. The amount of application of fertiliser applied and the time of application were noted. Water level in this irrigated land was also recorded every day. The soil core collected assisted in conceptualising the system and the results of chemical analyses were used to give initial values and validate the solute transport model.

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4. 4.1 Finite Element Mesh

The finite element mesh is constructed for the 5m column (Fig. 2) by dividing the flow region into triangular elements whose shapes are defined by the co-ordinate nodes that form the element corners. Transverse lines (Neuman 1974) formed by element boundaries will transect the mesh along the general direction of its shortest dimension. These transverse lines will be continuous and non-intersecting, but need not be straight. Small finite element mesh size were given at and near the soil surface, that is, upto 10 cm, as highly variable meteorological factors can cause fast

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Fig. 1 Field site description map

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changes in the pressure head. Similarly, closer mesh intervals were given for the lower 10 cm of the column. In general, the size of the mesh along the X direction was 0.04m and along Y direction it varied from 0.01 to 0.02m. Thus, the column of 5m length was divided in to 250 nodes with 248 meshes.

0m

4.2 Soil layers and properties The number of soil materials and number of layers were decided based on field data. The soil core collected from the top one metre of the unsaturated zone and its grain size analysis indicate that there are seven different zones. As soil coring was not carried out beyond one metre, the same soil type was considered from 1 to 5 m of the column. Thus, seven layers (namely A G) were considered in the 5m column, based on the variation in soil characteristics.

0.8 m 4.24 m

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Fig. 2 Finite element discretisation of the column for model simulation. 212

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Analyses of the soil core for the contents of sand, silt and clay (Fig. 3) were used to input the soil hydraulic properties for modelling The unsaturated soil hydraulic properties were determined by the percentage of sand, silt and clay in different layers by Genuchtan (1980) equation in HYDRUS model using neural network predictions technique developed by US Salinity laboratory (Simunek 1999). The calculated soil hydraulic properties based on the percentage of sand, silt and clay are given in Table 1.

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Fig. 3 Grain size analysis sand, silt, clay percentages Table 1 Soil hydraulic properties s n

Layers A B C D E F

Depth (cm) 0 10 10 20

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0.385 2.8 1.81 Ks m/day 1.20 1.10 0.391 2.1 1.73 0.385 0.389 1.6 2.7 1.62 1.73 1.82 1.73 1.62 1.03 1.31 1.02 1.11 0.91 0.395 2.3 0.385 0.391 2.6 2.4 213

0.035 0.036

20 30 30 60 60 80 80 90

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G 90 - 500 0.030 4.3 Solute properties

r = Residual water content, s = Saturated water content, = Inverse of air entry value (or bubbling pressure), n = Pore size distribution index, Ks = Saturated hydraulic conductivity, l = Pore connective parameter

The dispersivity and diffusion co-efficient are important parameters in solute transport process. The dispersivity of solutes in a particular soil will vary with respect to the property of the soil. The dispersivity of chloride and nitrogen used in the model is given in Table 2. The diffusion co-efficient for chloride in water is

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0.032 0.031 0.030 0.038

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assumed as 0.20 m2/day and N-NO3 is 0.016 m2/day. These values were derived from the soil characteristics of this area and from the literature. In the case of nitrate, plant uptake and denitrification were considered with a degradation factor of 0.01 per day. Table 2 Longitudinal dispersivity Layers A B C D E F G 4.4 Boundary condition Longitudinal dispersivity (m) 0.009 0.008 0.007 0.010 0.008 0.007 0.006

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Layers A B C D E F G

The initial condition to run the model was derived primarily from the field study. The initial conditions necessary for this model include pressure head and concentration. The initial concentration values used for model simulation are given in Table 3. These values were arrived form the analysis of soil core collected 3 days before transplantation during the field study. Table 3 Initial condition for model simulation Cl (mg/kg) 75 65 55 70 61 62 60 214 N-NO3 (mg/kg) 1.47 0.97 0.85 1.2 0.99 1.1 1.0

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Atmospheric boundary condition was assumed at the top of the column. The atmospheric boundary condition varies depending up on the amount of rainfall, irrigation and evaporation. The actual variation in rainfall and water depth in the irrigation land was measured regularly in the field, which was used in the model. The evaporation is assumed as 60% of irrigation water. In addition to these, two limiting values of surface pressure head are also provided. The maximum allowed pressure head at the soil surface is zero and minimum allowed surface pressure head (defined from equilibrium condition between soil water and atmospheric vapour) is assumed as 100m. Variable head was considered at the lower boundary.

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5.

MODEL CALIBRATION

Table 4 Soil hydraulic parameters derived after calibration Layers A B C D E F G r 0.030 0.030 0.029 0.027 0.025 0.031 0.029 s n Ks (m/day) 1.20 0.90 0.78 0.92 0.76 0.85 0.73

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2.4 1.9 1.3 2.5 2.0 2.3 2.1 2.10 1.60 1.46 1.59 1.47 1.50 1.43 215

The model was initially run with the above mentioned input parameters for modelling the movement of chloride in the column. The concentration computed by the model was compared with field data. Then, the model was run by varying certain input parameters such as evaporation, bulk density, co-efficient of diffusion and dispersivity. All these parameters were varied within the reasonable limit of 10 % and the sensitivity of these parameters on the model results was studied. The model is sensitive to the variation in evaporation. When the evaporation rate was increased by 10%, the concentration of chloride in the soil zone increases by about 17%. The model, however, is not very sensitive to the other parameters. Thus, by varying these input parameters within the reasonable limit, concentration of chloride ion was simulated and compared with observed field data. The model calibration was thus carried out and the values actually used in the model arrived after calibration by sensitivity analysis is given in Table 4.

The results of the model were more or less comparable with the observed data after calibration. The comparison was made up to a depth of one metre of the column as the observed field data is available only for this depth. After the simulation of chloride ion, the model was run to simulate the concentration of nitrate. It is assumed that 6% of the applied fertiliser nitrogen becomes Nitrate-Nitrogen. Most of the literature report that 4 to 10 % of applied nitrogen fertiliser becomes NitrateNitrogen (Petrovic 1990). The model results obtained are comparable with observed nitrate concentration. Initially, all these model runs were made for one irrigation cycle. The model was run with time step of one day with time increment of a minute. 6. MODEL RESULTS

L.

After calibration and testing, the model was used to simulate the concentration of chloride and nitrate in the soil zone. The model results were initially obtained for the study period of 100 days after transplantation, that is, from 16th May 1999 to 23rd

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Modelling in Hydrogeology

August 1999. The simulation was carried out for a period of one year (three crops) (May 1999 to April 2000) to predict movement of the applied fertiliser towards groundwater. 6.1 Chloride The simulation was carried out initially for one crop season and the computed results were compared with the observed field data (Fig.4).

Cl (m g/kg)

300 200 100 0

0 - 10 cm

Observed S imulated

Cl (m g/kg)

Cl (m g/kg)

20 - 30 cm

Cl (m g/kg)

Cl (m g/kg)

30 - 40 cm

40 - 50 cm

Cl (m g/kg)

Cl (m g/Kg)

Cl (m g/Kg)

L.

50

Cl (m g/kg)

El

Cl (m g/kg)

100

60 - 70 cm

75 50

100

70 - 80 cm

75

100

80 60 40

90 - 100 cm

70 65 60 55 68 64 60 56

300 cm

500 cm

16

Fig. 4 Comparison of observed and simulated chloride concentration in the unsaturated zone 216

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22 28 38 48 96

150

10 - 20 cm

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It clearly shows that there is a good agreement between the results of the model and the observed field data. The chloride ion from the irrigated field reaches the groundwater zone after about 45 days. Movement of mass of chloride in the unsaturated zone is given in Fig. 5.

0.0015

4.00

Inflow (v/d)

0.0005

2.00 1.00

-0.0005 0.0004

0.00 0.10

Inflow (v/d)

0.05

0.00 0.15

Inflow (v/d)

Inflow (v/d)

20 - 30 cm

Inflow (v/d)

Inflow (v/d)

0.0001 0.0000

El

-0.0001 0.0001 0.0001 0.0000

0.10

Inflow (v/d)

0.05

0.00

Inflow (v/d)

90 - 500 cm

4.00

L.

16 0 3 9

22

28

33

38

45

51

57

63

69

75

81

87

93

Da ys

Fig. 5 Movement of mass of chloride and inflow solution in the unsaturated zone

Movement of mass through the unsaturated zone is controlled by the recharging water from the irrigated land. Hence, most of the fluctuation in chloride mass takes place (i.e. from 0.00173 g/m3 to 0.274 g/m3 in the upper zone) during irrigation period, that is up 55 days. After about 55 days (i.e. after harvest) the mass of chloride reaches the level measured before the commencement of irrigation. The fluctuation in the mass of chloride with respect to time in the lower layers is not very significant as inferred from the linear nature of the curve for mass in Fig.5.

217

99

M a ss (g)

3.00

M a ss (g)

80 - 90 cm

M a ss (g)

0.0002

60 - 80 cm

M a ss (g)

30 - 60 cm

M a ss (g)

0.0002

M a ss (g)

0.0002

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10 - 20 cm

M a ss (g)

0 - 10 cm

M a ss (g)

3.00

Modelling in Hydrogeology

6.2 Nitrogen Similar to that of chloride, initially the model was simulated for one crop period and compared with field data for nitrogen (Fig.6). The computed nitrogen trend in the unsaturated zone is in good agreement with field data. The nitrogen concentration in the unsaturated zone varies significantly during irrigation period due to intense agricultural activities. The temporal variation in mass of nitrogen is higher in the upper layers than in the lower layers (Fig.7). The mass of nitrogen varies from 0.00034 g/m3 to 0.0154 g/m3 in the 80 - 90 cm layer. Further, after the completion of irrigation activity (i.e. after 55 days) the mass of nitrogen remains almost constant. This is inferred from the linear nature of the curve for mass in Figure 7.

7.

MODEL PREDICTION

The results of the model run for a three crop period show that the concentration varies significantly during the first and third cropping periods (Figs.8, 9). The second crop period, however shows lower levels of variation in concentration, which is attributed to monsoon. In groundwater zone, chloride varies from 60 to 65 mg/l during this one year simulation. In the case of nitrate, the fluctuation was for 3.5 to 3.6 mg/l in the groundwater zone. The overall fluctuation during the three crop period, is mainly due to variation in rainfall, fertiliser application and evaporation. The model predictions indicate that eventhough there is a variation in the concentration of these ions, in general there is no upward or downward trend. In general, the concentration of chloride and nitrate in the 40 to 50cm, vary from 55 to

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218

After having been satisfied with the results of the model obtained for one crop period, the model was then used to predict the concentration of chloride and nitrogen in the unsaturated zone under different irrigation practices. The model was run for a one year and a five year period with the usual and increased application of fertiliser. These model runs were made by assuming the same input concentration mentioned in the earlier section. The daily average rainfall and evaporation data calculated from past six years were used. The model run was made for the period starting from May 1999.

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The model created with the field data, was used to predict the movement of chloride and nitrogen in the unsaturated zone as described in the next section.

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0 - 10 cm

Observed S imulated

10 - 20 cm

20 - 30 cm

6 4 2 0 15

50 - 60 cm 60 - 70 cm

10 5 0 15

N (m g/Kg)

70 - 80 cm

10 5 0 10

0 8 N (m g/Kg) 6 4 2 0

N (m g/Kg)

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1.4 1.2 1.0 0.8 N (m g/Kg)

El

90 - 100 cm 300 cm 500 cm

16 22 28 38 48 96

N (m g/Kg)

80 - 90 cm

Fig. 6 Comparison of observed and simulated nitrogen (N-NO3) in the unsaturated zone

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Days afte r T ransplantation

8 N (m g/Kg) N (m g/Kg)

219

Modelling in Hydrogeology

L.

Fig.7 Variation in simulated mass of nitrogen (N-NO3) and inflow in the unsaturated zone 220

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100 90 80 70 60 50 0

Groundwater

Fig.8 Simulated at different for one year period Obse at o chloride odes Co cedepths t at o

6 5 4 3 2 1

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0 73 146 Days 219 292

Fig. 9 Simulated nitrogen (N-NO3) at different depths for one year period 95 mg/kg and from 1.2 to 5.4 mg/kg respectively. Similarly, in groundwater, chloride varies from 60 to 66 mg/l and nitrate varies from 3.4 to 3.5 mg/l.

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73 146 219 292 365 Days

1m 0.5 m

Groundwater

1m 0.5 m

365

221

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7.2 Five year period Assuming that the fertiliser application and other input parameters are similar, the model was run for five years from May 1999, considering three paddy cropping seasons. The results indicate that the concentration of chloride and nitrogen fluctuates significantly (Figs.10, 11).

O b s e r v a tio n N o d e s : C o n c e n tr a tio n

95 85 75 65 55 45 0

Groundwater

O bse

at o odes Co ce t at o

6 5 4 3 2

El L.

1 0 31 65

In general, the concentration of ions fluctuates in a cyclic trend during the simulation period. This trend is mainly because of rainfall during monsoon and summer period. The concentration of chloride varies significantly from 45 to 95 mg/kg in 40 - 50 cm layer. But in the concentration of nitrate, it varies between 1.7 to 5.3 mg/kg. In groundwater zone, the concentration of chloride fluctuates between 60 to 68 mg/kg and nitrate from 3.5 to 3.6 mg/l.. Despite this cyclic trend, there is no significant overall upward or downward trend in the concentration of ions in the

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1m 0.5m 15 36 20 73

1 03 95 1 44 60 1 85 25 Year

Groundwater

1m 0.5

20 73

39 5 10

Y ear

1 44 60

1 85 25

222

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unsaturated zone. It is further observed that these ions in the groundwater zone do not increase during the simulation period. 7.3 Application of excess fertiliser The model was also used to predict the effect of excess fertiliser application on unsaturated zone and groundwater. During this simulation, application of fertiliser was increased two fold and other model parameters were kept the same as in earlier predictions. The results of the five year run with increased fertiliser application indicate an increase in the concentration of chloride and nitrate in the unsaturated zone and groundwater (Figs.12, 13).

Obse

110 100 90 80 70 60 50

at o

odes Co ce t at o

El

0 0 1 365 2 730 3 1095

Year

L.

Fig. 12 Simulated chloride concentration during excess fertiliser application (2 fold) for five year period

A two fold increase in fertiliser usage results in an increase of 20 mg/kg of chloride and 3 mg/kg of nitrogen in top one metre of the unsaturated zone. Similarly, the concentration of chloride and nitrogen in the groundwater increase by 17 mg/l and 2.3 mg/l respectively. Further, even this increase in the concentration of ions seems to stabilise at the end of 5 years.

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1m Groundwater 4 1460 5 1825

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10 8 6 4 2

1m

Groundwater

Fig. 13 Simulated nitrogen (N-NO3) concentration during excess fertiliser (2 fold) application for five year period 8. CONCLUSION

Studies were carried out to find out the movement of chloride and nitrogen in the unsaturated zone through a field study and by simulation using solute transport model. Simulation was carried out initially for one crop season and shows that there is a good agreement between the results of the model and the observed field trend. The model predicts that the chloride ion from the irrigated field reaches the groundwater zone after about 45 days. The chloride and nitrogen concentration in the unsaturated zone varies significantly during irrigation period due to intense agricultural activities. The model simulation for a three crop period indicates that the overall fluctuation during the three crop period, is mainly due to variation in rainfall, fertiliser application and evaporation. The concentration of ions fluctuates in a cyclic trend during the simulation for five year period. There is no significant overall upward or downward trend in the concentration of ions in the unsaturated zone and in the groundwater zone. The results of the five year run with increased fertiliser application indicate an increase in the concentration of chloride and nitrate in the unsaturated zone and groundwater. Further, even this increase in the concentration of ions seems to stabilise at the end of 5 years. The model predicts that there is no threat to the groundwater quality due to the present level of use of agrochemicals. Thus, the modelling exercise carried out may be used to compute the probable concentration of chloride and nitrate in unsaturated zone and groundwater over a time period of a few years in the study area.

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365

730

1095

1460

1825

Year

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ACKNOWLEDGEMENTS The authors acknowledge with thanks the financial assistance provided by the Council of Scientific and Industrial Research and Department of Science and Technology. The authors also wish to thank Dr.Frank Stagnitti, School of Ecology and Environment, Deakin University, Australia for providing the required facilities. REFERENCES: Boateng S. and Cawlfield J.D. (1999), "Two dimensional sensitivity analysis of contaminant transport in the unsaturated Zone", Groundwater, Vol.37, No.2, pp.185-193.

Neuman S.P. (1975), "Galerkin approach to saturated unsaturated flow in porous media", John Wiley Sons, London, Vol.1, pp.205-217. Neuman S.P., Feddes R.A. and Bresler E. (1974), "Finite element simulation of flow in saturated unsaturated soils considering water uptake by plants", Third Annual Report, Project No.A10-SWC-77, Hydraulic Engineering Lab, Technion, Haifa, Israel. Petrovic A.M. (1990), "The fate of nitrogenous fertilisers applied to turfgrass", J. Environ. Qual. Vol.19, pp.1 14.

L.

Tim V.S. and Mostaghimi S. (1989), "Modelling transport of a degradable chemical and its metabolites in the unsaturated zone", Ground water, Vol. 27, No. 5, pp.672681.

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Simunek J., Sejna M. and Genuchtan V.Th. (1999), Hydrus-2D/Meshgen-2D: "Simulating water flow and solute transport in two-dimensional variably saturated media", U.S. Salinity Laboratory, Agriculture research service, Riverside, California.

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Genuchten V.M.Th (1980), "A closed form equation for predicting the hydraulic conductivity of unsaturated soils", Soil Sci. Soc. Am. J., pp.892-898.

Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.227-237

M. S. Mohan Kumar and Mini Mathew

Abstract

Modelling of NAPL migration in the saturated and the unsaturated porous medium is discussed. A two dimensional cell centered finite difference model to predict NAPL movement in a saturated porous media is developed and the model is verified using the analytical and the experimental results. The modelling of multiphase flow is carried out using different solution methodologies such as fully implicit simultaneous method and a two step fully implicit sequential method.

Keywords : Nonaqueous Phase Liquids; Saturated Medium; Unsaturated Medium, Numerical Modelling 1. INTRODUCTION

Nonaqueous Phase Liquids (NAPLs) are hydrocarbons. They do not dissolve in water and form a separate phase in the subsurface. NAPLs are either comprised of a single or multiple component fluids. This study is carried out for single component NAPL migration in the subsurface. Groundwater contamination by NAPLs such as chlorinated solvents, TCE, PCB, and other liquids are widespread throughout the industrialized area. Most of these chemicals are extremely toxic and insoluble in water. To implement appropriate remedial schemes in the contaminated area, it is necessary to evaluate the extent of the contaminated area. This information can be obtained by extensive field investigation, which generally is very expensive and time consuming. Field investigation can be reduced or made more cost effective, if the migration pattern of the NAPLs can be evaluated by using numerical models accurately. The movement of nonaqeous phase liquids (NAPLs) that are immiscible with water through the porous media is an important part of contaminant hydrology and in petroleum engineering. NAPL migration in the subsurface is controlled by; (1) Volume of NAPL released, (2) area of infiltration, (3) duration of NAPL release, (4) properties of the NAPL, (5) properties of the porous media and (6) subsurface flow conditions (Feenstra and Chezy; 1998). Fig.1 shows the typical movement of NAPLs in the porous media.

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When NAPL is released into the subsurface, NAPL will migrate downward through the unsaturated zone by gravity. In addition to vertical migration, some extent of lateral spreading is also caused due to the effect of capillary forces (Schwille; 1988) and also due to medium properties. As the NAPL progress its downward migration through the unsaturated zone, it leaves behind residual saturation due to surface tension and the vertical migration is governed by the properties of the NAPL and the media. NAPL movement in the pore space will occur when enough pressure is available to overcome the displacement pressure. The amount of pressure required depends on the capillary forces acting on the fluids on either side of the pore throat. The capillary force between the fluids depends on the wettabiliy of fluids. NAPL can be lighter than water (ie, density less than water), and the corresponding NAPLs are referred to as LNAPLs, and NAPL can also be heavier than water (ie, density is greater than water), and such NAPLs are referred to as DNAPLs. If the quantity of release is sufficiently large, some of the NAPLs will reach the saturated zone. DNAPLs will displace water and continue its downward migration under pressure and gravity. LNAPLs are lighter than water, and hence they will float over the water table. Hence in saturated porous medium, the movement of DNAPLs are considered as a two phase system of water and DNAPL simultaneously in the porous medium. In unsaturated medium, the movement of both DNAPLs and LNAPLs are considered as a three phase system of water, NAPL, and air simultaneously in the porous medium. NAPLs behavior in a small porous block is characterized as REVs, and in each REV physical properties such as permeability, porosity, relative permeability, and capillary pressure saturation relations remain constant with both the fluids competing with each other to occupy the pore space.

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2. GOVERNING EQUATIONS OF MULTIPHASE FLOW Laboratory studies conducted in the oil industry, [Wyckoff and Botset; 1936], and Leverett; 1938], suggest that Darcys law can be extended to multiple fluid systems in porous media. Darcy's law is extended to multiphase flow by postulating that the phase pressures are involved in causing each fluid to flow. The governing equations for multiphase single component flow of immiscible fluids in the porous media is given by,

xi

& k ij k r $ $ %

# P + g )! Q ! x j "

( S t

(1)

where i and j are the direction indices, is the phase, kij is the intrinsic permeability of the porous medium, kr is the relative permeability, is the viscosity, is the density, g is the acceleration due to gravity, and z is the elevation taken as positive from bottom. P is the pressure, S is the saturation, Q is the source sink term of the phase , and is the porosity of the medium. {w, nw} in saturated porous medium and {w, nw, g} in unsaturated porous medium. Here w is the wetting phase (water) and nw is the nonwetting phase (NAPL) in the saturated medium and w is the wetting phase (water), nw is the intermediate phase (NAPL), and g is the nonwetting phase (air) in the unsaturated porous medium. The governing equation ( Eqs.1) is subjected to the following constraints in the full domain.

L.

=1

' S = 1

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229

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(2)

where N is the number of phases. When the phases are immiscible, an interface will develop between the phases. The difference of phase pressures at the interface is the capillary pressure between the phases and is given by,

PC (S ) = P P , {w, nw, g }, {w, nw, g }, for unsaturated medium (3a) PC (S ) = P P , {w, nw}, {w, nw}, for saturated medium (3b)

Here is the nonwetting phase having higher phase pressure and is the wetting phase pressure for the two phases. The governing equations of multiphase flow is highly nonlinear due to the dependency of relative permeabilities and capillary

Modelling in Hydrogeology

pressures on the saturation of the respective phases and the governing equations also have to satisfy the following constraints.

k r = k r (S ), {w, nw, g }, k r = k r (S ), {w, nw}, for unsaturated medium for saturated medium ( 4a ) (4b)

3.

CONSTITUTIVE RELATIONSHIPS

3.1 Capillary pressure saturation relation In a two phase system, two fluids simultaneously exists in the porous medium, one fluid will have more wettability for the solid phase and will occupy the smaller voids while the nonwetting fluid is consigned to larger voids. When two immiscible fluids are in contact, a discontinuity in pressure exists at the interface between the fluids. The difference in pressure is expressed as the capillary pressure ( Eqs.3). Parameterizations of capillary pressure saturation relations widely used in the literature are Brooks and Corey(1964) and Van Genuchten(1980). The Brooks and Corey(BC) function is widely used in the petroleum engineering simulation and in the contaminant hydrology problems and the capillary pressure saturation relation in terms of wetting and nonwetting fluid saturation is given by, PC = Pd Swe where S = we

S W S Wr

-1/

Swr is the residual saturation of the , 1 S Wr 1 S Wr wetting fluid, is the pore size distribution index, and Pd is the displacement pressure of the medium. Similarly in the case of three phase flow equations, equations similar to Eqs. (5) are written for all combinations of the three phase system (Parker; 1989).

, S nwe =

L.

4.

Following the concept of Burdine(1953) or Mualem(1976) for deriving the relative permeability relationships from capillary pressure saturation relationships, the relative permeability relations in terms of wetting and nonwetting phase saturation are given by,

El

k rW = S e

2 + 3

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PC = Pd (1-Snwe)

S nW

-1/

PC Pd

(5)

(6)

Equations similar to Eqs.(6) are written for three phase system (Parker; 1989).

230

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5.

The initial conditions of the primary variables have to be given for the full domain and the boundary conditions also to be specified on the boundaries in terms of the primary variables incorporating both Dirichlet and Neumann boundary conditions as the case may be. 6. NUMERICAL MODELLING OF MULTIPHASE FLOW

The general equations of multiphase flow in the saturated medium for the two dimensional vertical section is given by,

x & k x k rw PW $ $ x W % # & k z k rw ! ! + z $ $ " W %

El

(

# & k z k rNW ! ! + z $ $ " % NW

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PW + W g z

A number of numerical models have been developed to simulate the migration of nonaqueous phase liquids (NAPLs) in the subsurface. The majority of these models are based on one or other type of formulation involving the primary variables of the phases. There are several ways to write the governing equations of multiphase fluid flow such as the two pressure approach and the fractional flow approach (Morel and Seytoux; 1973 ). The two pressure approach of the governing equations have been widely used in the two phase unsaturated medium of air water system (Pinder and Abriola; 1986 ). The other approach to the numerical solution is the fractional flow approach which include the work of Guarnaccia and Pinder(1997). The other possible approaches of numerical simulations involve all combinations of the primary variables such as the pressure and saturation of all the phases leading to different type of formulations. Here only the formulation involving the pressure and saturation of the wetting phase in a saturated system is discussed in detail.

# SW ! ! = t "

(7 )

L.

& k x k rNW PNW $ x x $ % NW

PNW z

+ NW g

# S NW ! ! = t "

(8)

where the subscripts W and NW refer to the wetting and nonwetting fluids, is the viscosity [M/LT], and is the density [M/L3], z is the vertical distance taken as positive from the bottom, SW and SNW are the wetting and nonwetting saturations, is the medium porosity, kx and ky [L2] are the intrinsic permeabilities, krW and krNW are the relative permeabilities of the wetting and nonwetting fluids, g[L/T2] is the acceleration due to gravity, and PW and PNW [M/LT2] are the wetting and nonwetting pressures respectively.

231

Modelling in Hydrogeology

The Eqs.(7) and (8) are coupled through the capillary pressure and is a function of saturation of wetting phase, and is given by,

P C (SW ) =P NW P W

And the governing equations are subjected to

(9)

SW + S NW = 1 k rNW = k rNW ( S NW )

k rW = k rW ( SW )

(10)

The coupled equations are highly nonlinear, Peaceman (1977) reported that explicit and alternating direction implicit methods are not stable for incompressible two phase problems especially in heterogeneous media. In this study the coupled equations are solved numerically using a block centered fully implicit finite difference scheme explained by Kueper and Frind (1991). The discretized equations of wetting and nonwetting fluid (Eqs.(7 & 8)) in terms of wetting fluid pressure and wetting fluid saturation as the primary variable are given by,

F1( PW , S W ) = [ B1 PWij 1 + D1 PWi 1 j + E1 PWij + F1 PWi +1 j + H 1 PWij +1

El

+

S Wij n

t

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S Wij

t

The governing equations have strong nonlinearities such as the dependence of the relative permeabilities krW and krNW on saturation and the dependence of PC on saturation. In order to solve the governing equations numerically, constitutive relations of the nonlinear terms have to be specified.

n +1

B1

n +1

W gz + H 1 n +1 W g z = 0

(11)

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S Wij

t

n +1

S Wij n

t

B1

n +1

W gz + H 1 n +1 W g z = 0

(12)

The Coefficients B1, D1, E1, F1, H1, B2, D2, E2, F2, H2, B3, D3, E3, F3, and H3 are fuctions of relative permeabilities of phases and capillary pressure between the phases. Hrere n+1 is the currenttime and n is the old time level. 7. TREATMENT OF NONLINEARITIES

The governing equations of multiphase flow are highly nonlinear due to the coupling of phases. The equations can be linearized using Picards method and Newton Raphson method. The linearized form of the equations using Newton Raphson method is given by , 232

Modelling in Hydrogeology

B ' PWij 1 + D ' PWi 1 j + E ' PWij + F ' PWi +1 j + H ' PWij +1 + B '' SWij 1 + D '' SWi 1 j +

' ' ''

]n+1,m+1

''

'' '' ''

(13)

n +1, m

F1

B ''' PWij 1 + D ''' PWi 1 j + E ''' PWij + F ''' PWi +1 j + H ''' PWij +1 + B '''' SWij 1 + D '''' SWi 1 j +

]n+1,m+1

(14)

F ''' PWi +1 j + H ''' PWij +1 + B '''' SWij 1 + D '''' SWi 1 j + E '''' SWij + F '''' SWi +1 j + H '''' SWij +1

n +1, m

F2

8.

SOLUTION METHODOLOGY

Most of the modelling of multiphase flow in two phase system is carried out using and SW as unknowns. In this study for simultaneous method using PW simultaneous method, the primary variables are simulated simultaneously using the linearized Eqs. (13) and (14) by taking PW and SW as unknowns. The Jacobian matrix in simultaneous scheme is block pentadiagonal in nature with two degrees of freedom per node. The resulting matrix is in the form of,

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[A ] [X ]

m m+1

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= R

[ ]

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where B, D, E, F, H, B, D, E, F, H, B, D, E, F, H, B, D, E, F, and H are the first partial derivatives with respect to corresponding primary variables at those respective nodes. Similar approach can be used in formulating the numerical equations for NAPL migration in unsaturated porous medium also. It should be noted that one more phase equation corresponding to gas phase will appear in the formulation ( Parker; 1989).

(15)

where [A] is a 2N x 2N(N is the number of nodes) Jacobian matrix, [X] is a column vector of 2N unknowns of PW and SW, [R] is the column vector of right hand side, (m+1) is the current iteration level and m is the previous iteration level. The explicit method and the alternating direction implicit methods are not suitable for the solution of multiphase flow simulation specially in immiscible type of fluids (Peaceman; 1977). In this paper for simultaneous method, block Incomplete Cholesky Conjugate Gradient method is used as the matrix solver.

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8.2 Sequential method As discussed in the previous section normally simultaneous solution of governing Eqs.(13) and (14) are obtained. The sequential method is a two step fully implicit iterative method. In this method, the linearized equation of wetting fluid, Eqs.(13), is used for the simulation of wetting fluid pressure by taking the primary variables of saturation of wetting fluid at the previous iteration on the right hand side. The Jacobian matrix of wetting fluid pressure is a five banded matrix and is given by

= [R1 ] m

(16)

where [A1] is an N x N (N is the number of nodes) Jacobian matrix, PW is a column of vector of N unknowns of PW, and [R1] is the column vector consisting of right hand side of Eqs.(13) and all the terms of SW. In the second step, the primary variables of wetting fluid saturation is simulated using the linearized nonwetting phase equation, Eqs.(14), by taking the primary variables of wetting fluid pressure at (m+1/2) level. The Jacobian matrix of wetting fluid saturation is also a five banded matrix and is given by

= [R2 ] m+1/ 2

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(17)

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where [A2] is an N x N (N is the number of nodes) Jacobian matrix, [SW] is a column vector of N unknowns of SW, and [R2] is the column vector consisting of Eqs.(14), the coefficients of PW and SW at previous iteration level and the coefficients of PW at (m+1/2) level. In this method, the global matrix Eqs.(16) and (17) are solved using Incomplete Cholesky Conjugate Gradient (ICCG) solver. First Eq.(16) is solved for PW and then Eq.(17) is solved for SW and the iteration is done till convergence is achieved. RESULTS AND DISCUSSIONS

The analytical solution of the multiphase flow, incorporating fully the effect of gravity and capillary pressure in transient multiphase flow through porous media is not tractable. In this paper, model verification is carried out by comparison of numerical results with analytical solutions reported in the literature (McWorter and Sunada, 1990; Kueper, 1991.a). The analytical solution describes the displacement of water by nonaqueous phase liquid in a one dimensional horizontal column. The column is initially fully saturated by an incompressible wetting fluid. An incompressible nonwetting fluid is continuously injected at the inflow end of the column.. Fig. 2 shows a good agreement between analytical and numerical results obtained using both sequential and simultaneous methods.

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For the case of multiphase flow through heterogeneous media, there are no analytical solutions available to test the accuracy of the model. Therefore, in order to examine the accuracy of the model developed for the two phase flow in heterogeneous media, the model is tested and compared with results for a laboratory experimental problem available 235

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in the literature. This test problem is an experimental result reported in the literature (Helmig and Peter Bastian, 1998). Fig.3 shows the schematic diagram of the domain and the boundary conditions. The domain is made up of two types of sand and the domain is fully saturated by water. The sand properties are reported in Table.1. The relative permeabilities and capillary pressures are defined using Brook's and Corey relations. This problem is simulated for two cases, case 1 for a heterogeneous media of two types of sands, sand1 and sand2. The second case, case 2 is a homogeneous porous medium of sand 1 through out the solution domain. Table 1: Properties of sand 1 and sand 2 Pd[pa] SWr k[L2] 0.4 6.64E-11 0.09 2.7 755

Sand 1 2

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Fig.4a shows the distribution of nonwetting fluid using both sequential and simultaneous methods at 2400sec in heterogeneous media (case 1) using wetting fluid pressure and saturation model. Fig.4b shows the experimental result at 2400sec for the case 1 (hetrogeneous media) of test problem. The results indicate that both simultaneous and sequential methods are simulating the same results and are matching well with the experimental results. Fig.4c shows the distribution of nonwetting fluid using both sequential and simultaneous method at 2400sec in homogeneous media (case 2) . Fig.4d shows the experimental result at 2400sec in homogeneous media (case 2). The results show that both simultaneous and sequential method is simulating the same results and is matching well with the experimental results. The results also show that the model developed is able to predict the NAPL migration in the subsurface accurately.

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REFERENCES: Aziz, K. and Settari, 1979. "Petroleum reservoir simulation", Applied Science, London. Brooks, R.H. and Corey,A.T, 1964. "Hydraulic properties of porous media, hydrolo". Pap.3, Civ. Eng. Dep., Colo. State Univ., Fort Collins. Bundine, N.T., 1953. "Relative permeability from pore size distribution data", Trans, AIME, 198. Guarnaaccia, J.F. and Pinder, G.F., 1997. NAPL: "A mathematical model for the stu dy of NAPL contamination in granular soils, equation development and simulation documentation". The university of Vermount, RCGED.

Kueper, B.H., and Frind,E.O., 1991.a. "Two phase flow in heterogeneous porous media" 1. Model development, Water Resour. Res., 27(6), 1049-1057. Kueper, B.H., and Frind,E.O., 1991.b. "Two phase flow in heterogeneous porous media" 2. Model application, Water Resour. Res., 27(6), 1059-1070. Leverett, M.C., 1938, "Flow of oil water mixtures through unconsolidated sands", Trans, Am. Min. Metall. Pet. Eng., 132, 149-191.

Peaceman,D.W., 1977. "Fundamentals of numerical reservoir simulation", Elsevier New York. Parker J. C., 1989, "Multiphase flow and transport in porous media", Review of geophysics, 27,3,pp: 311-328.

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Rainer, H., 1989, "Multiphase flow and transport processes in the subsurface", Springer New York. Sleep, B.E. and Sykes, J.F., (1997) "Modelling the transport of volatile organic in variably saturated media". Water Resour. Res., 25, 81-92. Sleep, B.E. and Sykes, J.F., 1993. "Compositional simulation of groundwater contamination by organic compounds,2". Model application. Water Resour. Res., 6(29), 1709-1718. Spillette, A.G., Hillestad, J.G. and Stone, H.L., 1973. "A highly stable sequential solution approach to reservoir simulation". Soc.Pet. Eng. 48th Ann. Meet., SPE paper no. 4542. Wyckoff, R.D., and Botset, H.G., "The flow of gas liquid mixtures through unconsolidated sand", Physics, 1936, 7, 325-345.

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McWhorter,D.B., and Sunada D.K., 1990. "Exact integral solutions for two phase flow", Water Resour. Res., 26(3), 399-414.

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Helmig, R. and Huber, R., 1998. "Comparison of Galerkin type discretization techniques for two phase flow in heterogeneous porous media", Adv. Water Resour., 21(8), 697-711.

Modelling in Hydrogeology, Eds: L. Elango and R. Jayakumar, UNESCO-IHP, Allied Publishers, 2001, pp.239-257

Review of Methods used for Modeling the Fate and Transport of Hydrocarbon Plumes using RT3D

T. P. Clement

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1 INTRODUCTION

Contamination of groundwater aquifers by petroleum hydrocarbon products is a common environmental problem faced by both developed and developing countries. Mathematical details of a public-domain reactive transport code RT3D, which can be used for modelling the fate and transport of hydrocarbon plumes under different types of aerobic and/or anaerobic conditions, are presented. Three types of conceptual models for representing the hydrocarbon degradation reactions are discussed. The models, which are listed in increasing levels of complexity, include the instantaneous aerobic reaction model, the kinetic aerobic model, and the kinetic aerobic/anaerobic model. Various levels of approximations made within these three reaction models are discussed. The limits of these approximations are analysed using test problems. Each of these models has its own advantage and the choice would depend on the type of management question one wants to address. Keywords: hydrocarbon pollution, groundwater modelling, numerical model, reactive transport

Hazardous material released from leaking underground storage tanks and pipelines have contaminated subsurface soil and groundwater at thousands of sites throughout the world. Common urban groundwater contaminants include petroleum species such as benzene, toluene, xylene, and ethylbenzene (collectively designated as BTEX species). Remediation of sites contaminated with these hazardous chemicals is an expensive task. In the past, ineffective pump-and-treat methods that either flush or remove contaminants from groundwater aquifers were employed as the remedial option. Recent studies have identified that natural microbes present in the aquifer have the potential for degrading several of these contaminants. These 239

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findings have lead to the development of a cost-effective remediation technique broadly known as bioremediation. Application of bioremediation to field-scale problems include two distinct approaches: active bioremediation and passive bioremediation (also known as natural attenuation or monitored natural attenuation). Active bioremediation is an accelerated cleanup technique, which is usually accomplished by enhancing the activities of indigenous microbial population within the contaminated region (Semprini et al., 1991). This can be done by actively supplying required nutrients (primarily nitrogen or phosphorous), electron donors (acetate or lactate) and/or electron acceptors (oxygen or nitrate). Alternatively, the remediation efficiency can be enhanced by introducing non-indigenous microbial strains into the subsurface (Mayotte et al. 1996). The natural attenuation approach is a passive remediation technique. This approach is a plume-scale management strategy that relies on the natural assimilative capacity of the system to control contaminant migration rates and to provide site remediation. The overall attenuation potential would depend on the combined effects of naturally occurring physical, chemical, and biological processes (Wiedemeier et al., 1998). The processes include both biotic and abiotic degradation, volatilization, sorption, and dispersion. When natural attenuation is adopted as remediation technique, it should be accompanied with a long-term monitoring plan to quantify the rate of remediation. Therefore, in the context of contaminated site management, natural attenuation is now termed as monitored natural attenuation (MNA) (Wiedemeier et al., 1998). Both the active and passive remediation approaches discussed above are now known to work for a wide variety of contaminants including, petroleum compounds, pesticide, phenolic compounds, nitrates, chlorinated compounds, explosives, and metal wastes. Evaluation of active or passive bioremediation design requires a thorough understanding of the biologically mediated reactive transport processes. Therefore, in recent years, several researchers have attempted to develop models for predicting biologically mediated reactive processes occurring in subsurface environments (Rifai et al., 1988; Clement, 1997; Waddill and Widdowson, 1998; Clement et al. 1998). Objective of this paper is to briefly review the capabilities of a comprehensive three-dimensional reactive transport model, known as RT3D (Clement, 1997), and to describe its use for modelling hydrocarbon contamination problems using three different types of reaction modules. 2 DESCRIPTION OF THE RT3D CODE

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2.1 Statement of Governing Equations The general set of macroscopic equations describing the fate and transport of aqueous- and solid-phase species, respectively, in multi-dimensional saturated porous media is written as:

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(1) (2)

Saturated groundwater flow velocities vi are calculated by first computing the hydraulic heads by solving the three-dimensional groundwater flow equation; later, transport velocities are calculated from the head values. The flow equations used are:

Ss

h = t x i

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& h # $ $ K ii x ! ! + qs i " %

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where n is the total number of species, m is the total number of aqueous-phase (mobile) species (note, n-m is the total number of solid-phase or immobile species), ~ Ck is the aqueous-phase concentration of the kth species [ML-3], C l is the solidth -1 phase concentration of the l species [MM ], Dij is the hydrodynamic dispersion tensor, v is the pore water velocity [LT-1], qs is the volumetric flux of water per unit volume of aquifer representing sources and sinks [T-1], Cs is the concentration of source/sink [ML-3], rc is the reaction rate that describes the mass of the species rc is the reaction rate removed or produced per unit volume per unit time [ML3T-1], ~ -1 -1 at the solid phase [MM T ], and ra and rd, respectively, are attachment (or adsorption) and detachment (or desorption) rates that describe the kinetic exchange of the transported species between aqueous and solid phases [ML-3T-1]. RT3D software is a general-purpose reactive transport codes that numerically solves the equations (1) and (2) for any arbitrary number mobile and immobile species (Clement, 1997).

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(3)

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vi =

K ii h x i

(4)

where h is the hydraulic head [L], Ss is the specific storage coefficient [L-1], and Kii is principal components of the hydraulic conductivity tensor [LT-1] (non-principal components are assumed to be zero), and is the soil porosity. Solution to the flow model, with appropriate boundary and initial conditions, are accomplished using the public-domain flow code MODFLOW. 2.2 Numerical Solution Procedure RT3D utilizes a reaction Operator-Split (OS) numerical strategy to solve any number of transport equations [in the form of (1) and (2)], which may be coupled via nonlinear reaction expressions. The transport code

Modelling in Hydrogeology

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The RT3D software has been well tested against various numerical and analytical solutions. In addition, different research groups have used RT3D for solving various types of field-scale reactive transport problems. For example, Clement et al. (1998) used the RT3D code to solve a variety of reactive transport problems. Sun and Clement (1999) validated RT3D against a series of analytical solutions. Clement (2001) used RT3D to test a sequential analytical solution. Lu et al. (1999) applied RT3D to model hydrocarbon bioremediation at a petroleum spill site in Utah, USA. Johnson et al. (1998) used RT3D to design an active bioremediation system at a chlorinated solvent site in California, USA. Clement et al. (2000) applied RT3D to model a chlorinated solvent site in Delaware, USA. Reed et al. (2000) employed RT3D to evaluate monitoring requirements for a hydrocarbon plume. Panikumar et al. (2001) employed RT3D to design a denitrifying bioremediation system at a field site in Michigan, USA. These studies have provided the necessary validation datasets for the RT3D code. MODELING HYDROCARBON CONTAMINATION

Prediction of the fate and transport of hydrocarbon plumes in groundwater aquifers requires a detailed description of the kinetics of biological reactions of all BTEX species (which serve as the electron donor), all the available electron acceptors (such as oxygen, nitrogen, iron, manganese, sulphate, and the fermented substrate), and various microbial populations (such as aerobic microbes, denitrifiers, iron/manganese reducers, sulphate reducers, and methanogens). Simulating the simultaneous effects of all these reactions and microbial growth processes coupled with advection and dispersion process is a difficult task and hence very limited work has been done in this area. Most realistic field-scale models use a simpler conceptual model to reduce this complex problem to a tractable system. In fact, 242

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MT3D uses a similar operator-split approach to primarily solve the physical transport processes describe by equation (1); however, MT3D can be used only to describe single-species transport (Zheng, 1990). In RT3D, the contaminant transport part is solved using the original MT3D routines. The MT3D packages for solving advection, dispersion, and source-sink mixing are simply invoked by RT3D multiple times to solve the transport of all mobile species. However, a new reaction module, with provisions for incorporating problemspecific reactions, was developed to solve the reaction problem. Use of this modular OS approach for solving the reaction problem facilitates representation of different contaminant transport systems through a set of pre-programmed reaction packages (Clement, 1997). Appropriate code modifications were also implemented to facilitate the input of pertinent multi-species information, including the initial and boundary conditions for each species. Further details of the input and output data structure and the numerical solution techniques used by the RT3D code are described in Clement (1997) and Clement et al. (1998).

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early modelling studies have completely ignored anaerobic degradation and solely focussed on aerobic degradation (Rifail et al., 1988). Even for the simple aerobic system, two types of models have been employed. The first one simplifies the kinetics by assuming that the aerobic biotransformation process as an instantaneous reaction; the model can track the concentrations of hydrocarbon and oxygen. This method is designated as Model-1 in this work. The second approach uses a Monodtype kinetic model and can track the concentrations of hydrocarbon, oxygen, and the microbial population in different phases (liquid and solids). This method is designated as Model-2 in this work. Recent field studies have shown that natural anaerobic processes play a dominant role in degrading hydrocarbon plumes (Wiedemeier et al., 1998). Attempts have been made to extend the simplified instantaneous reaction model to account for coupled aerobic and anaerobic processes; however, these attempts have had limited success. One the other hand, Waddill and Widdowson (1998) developed a comprehensive Monod-kinetics based model that can track all microbial populations, electron donors, and various electron acceptors. However, the practical value of these types of complex models is unclear because, using currently available field sampling methods, it is impossible to characterize microbial populations and other required parameters at a field scale. Therefore, Lu et al. (1999) used a simpler aerobic-anaerobic reaction model available in the RT3D code to simulate a hydrocarbon plume at the Hill Air Force Base site in the USA. This simple, firstorder, aerobic-anaerobic kinetic model is designated as Model-3 in this work. In sections below we review the mathematical details of all three models and will also illustrate their use by solving simple test problems. 3.1 odel-1: Instantaneous Model for Aerobic Degradation Reactions In the instantaneous reaction modelling approach, two mobiles species representing hydrocarbon (electron donor) and oxygen (electron acceptor) are tracked using the following two advection dispersion equations:

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RH

RO

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(5) (6)

where H is the aqueous-phase hydrocarbon concentration, O is the aqueous-phase oxygen concentration, Hs and Os are the source/sink concentrations, D is the dispersion coefficient, and R is the retardation factor. At the end of each time step, the hydrocarbon and oxygen plumes are mixed using the following instantaneous reaction algorithm (Rifai et al., 1988):

Modelling in Hydrogeology

(7) (8)

where F is stoichiometric reaction ratio (average value is 3.0 for the aerobic hydrocarbon decay reaction). The two-dimensional USEPA model BIOPLUME-II (Rifai et al, 1988) and the USEPA screening tool BIOSCREEN (Newell et al., 1996) use a similar instantaneous modelling approach. The instantaneous reaction model is one of the pre-programmed reaction packages available within RT3D. We used this RT3D package to simulate a test problem and compared the results against BIOPLUME predictions. The problem domain considered here has dimensions similar to an example problem discussed in the MT3D user manual (Zheng, 1990, page 7-4). Here, in a similarly sized twodimensional domain, we studied the reactive transport between hydrocarbon and oxygen. The assumed two-dimensional confined aquifer is 500 m long (xdirection), 300 m wide (y-direction), and 10 m thick. The domain was discretized using a numerical grid consisting of 50 nodes along the x-direction, 30 nodes along the y-direction, and 1 layer. A continuous source introducing contaminated water at the rate of 1 m3/day, at a concentration level of 1000 mg/L, is located at a grid cell centered at x = 135 m and y = 135 m. The initial concentrations of hydrocarbon and oxygen concentrations were assumed to be 0 mg/L and 9.0 mg/L, respectively. These same concentration levels were used as constant contaminant concentration boundary conditions at x = 0. Other boundary nodes were assumed to have free boundary conditions. The aquifer was assumed to be a homogeneous, isotropic system with a constant transmissivity value. Steady-state flow conditions were assumed. Other flow and transport parameters assumed in the simulation are: delx = dely = delz = 10 m; v = 0.33 m/day; porosity is 0.3; longitudinal dispersivity value of 10 m; and the ratio of longitudinal to transverse dispersivity is 0.3. The concentration contours of hydrocarbon and oxygen predicted by the two codes, at the end of 2 years of simulation, are compared in Figure 1. This figure reveals typical characteristics of the instantaneous reaction model. Note the plumes are forced to have either zero hydrocarbon concentration in nodes where oxygen is present, or zero oxygen concentrations where hydrocarbon is present. The oxygen plumes surrounds the contaminate region with the concentrations of oxygen gradually decreasing as we move away from the plume centreline. The instantaneous reaction model is a powerful tool for modelling field-scale problems (Rifai et al., 1988). Also the basic model description, as defined within RT3D, is general enough to predict mixing of any two instantaneously reacting species by using an appropriate stoichiometric factor F. Further, if multiple electron donors and acceptors are present then the contributions from all donors and acceptors can be averaged using an effective stoichiometry, which would describe the reaction between an effective donor and an effective acceptor, to model the average

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behaviour. For example, Wiedemeier et al. (1998) used a similar approximation to quantify combined oxygen and nitrate reactions with a hydrocarbon plume.

Fig. 1: Hydrocarbon and oxygen plumes predicted by the instantaneous aerobic reaction model (contours are values in mg/L). Data from Clement et al. (1998) 3.2 Model 2: Kinetic Model for Aerobic Degradation Reactions

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The kinetic model considered here describes the transport and biodegradation of hydrocarbon and oxygen, mediated by the aerobic bacteria that reside in both aqueous and solid phases. Using the linear equilibrium model for sorption reactions and the Monod model for aerobic reactions, the fate and transport of hydrocarbon (electron donor) in a multi-dimensional saturated porous media can be written as (Clement et al. 1996b):

~ & qs & H #& O # H & H # X # $ ! $ !$ ! ! ( ) X + = H + vi RH Dij Hs m $ $ !$ $ ! (9) ! ! t xi $ x j " xi % "% K H + H "% KO + O " %

~ where H is the aqueous-phase hydrocarbon concentration [ML-3], H is the solidphase hydrocarbon (mass of the contaminants per unit mass of porous media), [MM-

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]), Hs is the source/sink concentration [ML-3], X is the aqueous phase bacterial cell ~ concentration [ML-3], X is the solid-phase cell concentration [MM-1], O is the aqueous-phase oxygen concentration [ML-3], RH is the retardation coefficient of the hydrocarbon, KH is the half saturation coefficient for hydrocarbon [ML-3], KO is the half saturation coefficient for oxygen [ML-3], and m is the contaminant utilization rate [T-1]. In this model, we assumed that the hydrocarbon degradation reactions occur only in the aqueous phase.

~ & qs O & O # X #& H #& O # $ ! $ !$ ! ! ( ) = O + Y X + vi Os O / H m $ RO Dij $ !$ $ ! (10) ! t xi $ ! % "% KH + H "% KO + O " % x j " xi

where YO/H is the stoichiometric yield coefficient for oxygen, and Ro is the retardation coefficient for oxygen, set at a value 1.0.

~ q X & X # H #& O # $ ! - Ke X $ !$ (vi X) + s Xs - Katt X + KdetX + YX / H m X& = $ Dij ! $ ! ! t xi % t " xi % KH + H "% KO + O "

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The fate and transport of bacteria in the aqueous phase can be described using the equation: (11)

where Katt is the bacterial attachment coefficient [T-1], Kdet is the bacterial detachment coefficient [T-1], and Ke is the endogenous cell death or decay coefficient [T-1]. The growth of attached-phase bacteria can be described using an ordinary differential equation of the form: ~ ~ ~ & H #& O # ~ dX K att X ! - Ke X !$ = - K det X + YX / H m X$ (12) $ ! $ ! dt % K H + H "% K O + O " Equations (11) and (12) assume first-order kinetic expressions for representing the exchange of bacteria between aqueous and solid phases (Clement et al., 1997). The conceptual modelling approach used for representing soil bacteria, implicitly assumed in this formulation, is similar to the macroscopic approach described in Clement et al. (1996a). In this approach, no specific microscopic biomass structure is assumed, and diffusional limitations across biofilm are also neglected. Permeability and porosity changes caused by bacterial accumulation were also ignored in this work. However, if required, the macroscopic-approach models for biomass-affected porous-media properties, described in Clement et al. (1996a), may be integrated within the model. The complete mathematical description for the aerobic, hydrocarbon bioremediation system is given by the coupled set of partial/ordinary differential equations (9), (10), (11), and

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(12). In RT3D, these equations are represented by three mobile species (hydrocarbon, oxygen, and aqueous-phase bacteria), and one immobile species (soilphase bacteria). After reaction-operator splitting, the reaction terms are assembled together and coded into a pre-programmed reaction module (Clement, 1997). The two-dimensional test problem considered here to test this reaction model is identical to the one described in previous section. Except for reaction parameters, all transport and flow parameters were assumed to be the same as those previously used. The reaction constants assumed are: KO = 0.1 mg/L, KH = 0.12 mg/L, YO/H = 3.0, YX/H = 0.05, Ke = 0.001 day-1, = 1.6 x 106 mg/L, Kdet = 1.0 day-1, and Katt = 70.0 day-1. The initial concentration of the hydrocarbon assumed is 0 mg/L, oxygen ~ is 9 mg/L, and solid-phase bacteria ( X ) is 3.0 x 10-9 mg dry wt/ mg of soil (which is also equivalent to 0.016 mg/L of bacteria on liquid-volume basis computed from the ~ expression X /). Since, under natural conditions, most bacteria are expected live on the solid-phase, a very low value of 2 10-17 mg/L bacteria was assumed for the initial aqueous-phase bacterial concentration.

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In this figure, hydrocarbon concentration contours at 1 mg/L and oxygen concentration contours at 8.8 mg/L (a value close to the initial saturation value of 9.0 mg/L) are used to define the respective plume boundaries. For comparison purposes, the figure also includes hydrocarbon and oxygen plumes predicted by the instantaneous-reaction model (curve a), and the hydrocarbon plume predicted under no reaction (curve f is same as a tracer plume). It can be seen from these figures that, as the value of m is decreased, the shape of the hydrocarbon plume predicted by RT3D tends to approach the tracer plume. On the contrary, as the value of m increases the size of the hydrocarbon plume decreases and tends to approach the plume predicted by the instantaneous-reaction model. A similar trend can also be observed in the presented oxygen profiles where the oxygen plume is shown to relax to the instantaneous model predictions at m = 0.2 day-1. The solid-phase microbial concentration (in liquid volume basis) distributions predicted using different m values are given in Figure 3. These figures show that the pattern of bacterial growth and the accumulated concentration level of bacteria clearly depend on the reaction rate, m. At low reaction rates, bacterial concentration contours nearly follow the shape of the hydrocarbon contours. But, at higher reaction rates, bacterial distributions exhibit more complex patterns; this is because, at larger m values, oxygen is immediately consumed near the hydrocarbon source. This produces rate-limiting conditions for microbial growth downstream of the 247

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Simulation experiments were completed to study the system behaviour at four reaction rates, m = 0.05, 0.1, 0.125, and 0.2 day-1. Other microbial growth and transport parameters were not perturbed during these simulations. Figure 2 shows the hydrocarbon and oxygen plumes predicted by the kinetic biodegradation model, at the end of 2 years, for different m values.

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source according to the assumed Monod kinetics, and hence the biomass concentration is low there. However, the oxygen depletion creates a large

Fig. 2: Comparison of hydrocarbon (1 mg/L contour) and oxygen (1 mg/L contour) plumes predicted by the kinetic aerobic reaction model for various utilization rates (a. instantaneous, b. m = 0.2 day-1, c. m = 0.125 day-1 d. m = 0.1 day-1 e. m = 0.05 day-1 f. tracer). Data from Clement et al. (1998)

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concentration gradient in the transverse direction, and thus transverse dispersion promotes oxygen flow into the hydrocarbon plume; this phenomena stimulates microbial growth near transverse distances of 100 m and 170 m resulting in the horseshoe shaped high solid-phase biomass concentration zone. The aqueous-phase biomass also showed similar contour profiles (data not shown), but with biomass concentration levels almost two orders of magnitude lower than those predicted for the attached-phase biomass. It should be noted that the biomass growth patterns would also be sensitive to the other microbial growth and other transport parameters. Sun et al. (1998) performed a detailed sensitivity study to quantify the variations in biomass growth patterns. This example demonstrates the importance of modeling microbial growth while predicting bioreactive flow in subsurface aquifers. Models that ignore either the 248

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presence of bacteria or their growth may not always be adequate for simulating bioremediation systems, particularly when aquifer clogging is an issue. Clement et al. (1996a) and Clement et al. (1997) discuss issues related to effects of biological clogging and the effects of bacterial attachment and detachment kinetics on porous media transport.

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Fig. 3: Bacterial distributed predicted for various utilization rates (contours are mg/L of equivalent liquid phase cell concentrations). Data from Clement et al. (1998).

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3.3 Model 3: Kinetic Model for Aerobic and Anaerobic Degradation Reactions

(e.g., O2, NO 3 , Fe3+, or SO 4 ) is reduced. The following conceptual biochemical model can be used to represent the reaction: BTEX (electron donor, ED) + electron acceptor (EA) + microorganisms + nutrients carbon dioxide + water + microorganisms + "respiration" products Field studies have shown that a complete sequence of microbially-mediated BTEX biodegradation processes can utilize the electron acceptors O2, NO 3 , Fe3+ or SO 4 , and produce Fe(II) and methane. Using benzene as an example reactant, the stoichiometry of different degradation processes can be described by the following set of biochemical reactions (Wiedemeier et al., 1998):

C 6 H 6 + 7.5O 2 6CO 2 + 3H 2 O

+

+

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1 2

2+

For modelling purposes, the lumped BTEX concentration level is assumed to represent the overall hydrocarbon contamination at a site. Previous field studies have shown that the BTEX compounds, which are the most soluble contaminants, correlate well with the overall hydrocarbon contamination at field sites (Wiedemeier et al., 1998). BTEX biodegradation is essentially an oxidation-reduction process where the BTEX compounds, which act as electron donar, are oxidized and an EA

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In recent years, several laboratory and field studies have shown that microorganisms indigenous to subsurface environments can degrade hydrocarbon contaminants under both aerobic and anaerobic conditions (Wiedemeier et al., 1998). The microorganisms transform available carbon into forms useful for energy and cell mass. This results in oxidation of the electron donor and reduction of electron acceptor (EA). The electron donors would include natural organic matter and anthropogenically introduced carbon such as hydrocarbons. The EAs include elements or compounds that occur in relatively oxidized states. The more common EAs present in groundwater aquifers are: dissolved oxygen, nitrate, iron(III) or Mn(III), and sulfate (Wiedemeier et al. 1998). In addition to these direct electron acceptor processes, the fermentative process methanogenesis would also contribute to hydrocarbon removal.

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6NO 3

3.75SO 2 4 +

(13)

(14) (15) (16) (17)

+ 6H + C 6 H 6 6CO 2 + 6H 2 O + 3N 2

+ 7.5H + C 6 H 6 6CO 2 + 3H 2 O + 3.75H 2S

These reactions are listed here in the order in which they are expected to occur, which can be deduced based on the Gibbs free energy of the redox reactions.

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The overall fate and transport of BTEX and various EAs (or degradation products) observed at a field site can be modeled using the following set of reactive transport equations:

R BTEX R O2 # q [BTEX] & $ Dij [BTEX] ! (vi [BTEX]) + s [ BTEX]s + rBTEX = ! ! t xi $ xj " xi %

(18)

3

(19)

R Fe2+ R SO 2

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)

R NO

(20)

(21)

R CH 4

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[O 2 ] K O2 + [O 2 ]

K NO + [NO 3 ] K i,O2 + [O 2 ]

3

(22)

(23)

Where R is the retardation coefficient for various species, r represent the biodegradation rate term, Dij is the dispersion tensor, vi is the transport velocity, qs is the fluid sink/source term, and is effective porosity. The concentrations of different species are represented by a square bracket around an appropriate notation to represent the species.

L.

rBTEX,O2 = k O2 [BTEX]

A kinetic model is required to describe the reaction terms r listed in these transport equations. Clement (1997) conceptualised the BTEX decay reactions that use five different EAs as first-order reactions. A Monod-type term was then used to account for the presence (or the absence) of various EAs, and an inhibition model was used to simulate inhibition due to the presence of any one of the earlier EA (i.e. an EA with higher free energy). The kinetic equations are: (24)

K i,O2

rBTEX,NO = k NO [BTEX]

3 3

[NO 3 ]

(25)

251

Modelling in Hydrogeology

[Fe 3+ ]

2 [SO 4 ]

K i,O2

K i,O 2

K i, NO

3 3

(26)

rBTEX,SO 2 = k SO 2 [BTEX]

4 4

K i, NO

4 4

K SO 2

4

2 + [SO 4 ]

K i,O2 + [O 2 ] K + [NO 4 ] i, NO

K i,NO K i,O2 [CO2 ] 3 rBTEX,Me = k Me [BTEX] K CH4 + [CO2 ] K i,O2 + [O2 ] K + [NO3 ] i,NO

3

(27)

K i,Fe3+

K i,SO2

4 4

where rBTEX,O2 is the BTEX destruction rate utilizing oxygen, rBTEX,NO is the

3

producing Fe2+), rBTEX,SO 2 is the destruction rate utilizing sulfate, rBTEX,Me is the

4

destruction rate via methanogenesis, [O2] is oxygen concentration [ML-3], k O2 is the first-order degradation rate constant for BTEX utilizing oxygen as the EA [T-1], K O2 is the saturation constant for oxygen [ML-3], K i,O 2 is the oxygen inhibition constant [ML-3]; similar nomenclature is used for subsequent reactions. Note that by setting the half-saturation constants to small values, we can simulate zero-order dependency with respect to the electron donor and thus a first-order degradation model with respect to BTEX. The values of all the saturation constants were set at 0.01 mg/L.

L.

Similarly, the inhibition constants can be set to small values to simulate pure sequential EA process. The inhibition function is used to represent the concept that the availability of any one of the EAs may inhibit the utilization of other EAs that provide less Gibbs-free energy to the system. However, if a Ki is assigned a very large value (much larger than the maximum value of the EA species) then the inhibition function becomes one and the simultaneous use of EAs can be simulated. In our model all Ki values, except Ki,Fe3+, were set at 1.0 mg/L. The value of Ki,Fe3+ was set 10 mg/L. Since the concentrations of the two electron acceptors Fe3+ and CO2 cannot be measured under field conditions and because they can change over time (Wiedemeier et al., 1998), these terms were replaced in the model to predict the products of these EA reactions. The concentration levels of the products at every node were limited by using two capacity" terms defined by the equations:

252

El an

destruction rate utilizing nitrate, rBTEX ,Fe3+ is the destruction rate utilizing Fe3+ (or

go

(28)

Modelling in Hydrogeology

[Me]=[CO 2 ] = [CH 4,max ] [CH 4 ]

(29) (30)

3 4

go

3

where [Fe2+max] and [CH4,max] are maximum measured levels of these species. Equations (17) and 18) are used to indirectly quantify the iron reducing and methanogenic capacity of the node at a given time. Since methane production reaction is a fermentation reaction, there is no external electron transfer process involved in this reaction step. Therefore, the concentration term for CO2 used in (28) should be considered as a hypothetical term that simply indicates the local methanogenic capacity (Me) of the node. Similarly, the concentration term for Fe3+ should also be considered as a hypothetical term that indicates the local iron reduction capacity [bioavailable Fe(III)] of the node. The total rate of BTEX destruction via destruction processes can be represented as: (31)

3 3

El an

3 4 4

Rates of EA utilization or product formation are given by the corresponding rate of BTEX destruction term multiplied by an appropriate yield stoichiometric coefficient (Y): (32) (33) (34) (35) (36)

4

L.

4

For BTEX the stoichiometric yield values are: YO2 / HC is 3.14, YNO /HC is 4.9,

YFe2 + / HC is 21.8, YSO2/HC is 4.7, and YCH 4 / HC is 0.78 (Wiedemeier et al., 1998).

It is important to note the kinetic model presented above is based on several important assumptions. The model should be used with caution only at sites where these assumptions are valid. The key assumptions used in the model are: (1) the fuel chemical species benzene, toluene, ethylbenzene, and xylene species are assumed to degrade at similar rates, and hence are combined and modelled as a single electron donor species BTEX (2) production of Fe2+ and methane are restricted at a node at a "maximum-observed level"; however, the model assumes that an infinite supply of electron acceptor will be available for iron-reduction and methanogenic reactions; (3) more complex processes such as the rate-limited interaction of bioavailable, solid-phase Fe3+ and aqueous-phase Fe+2, interaction of oxygen and Fe2+, and/or variations in the spatial pattern of methanogenic activity 253

Modelling in Hydrogeology

and CO2 availability are not considered; (4) growth and decay of various microbial populations and their interactions with contaminants and aquifer solids are assumed to be negligible; (5) all BTEX decay reactions are approximated as first-order reactions and hence the model ignores the Monod limitation due to the electron donor (BTEX) availability. Fortunately, these assumptions are expected to be reasonable approximations for most field sites. However, there will always be some exceptions. The multi-species reaction model discussed above was field tested to model a hydrocarbon problem at the Hill Air Force Base (AFB) site in USA. The hydrogeological details of the site are discussed in Lu et al. (1999). The unconfined aquifer beneath the site is contaminated with BTEX dissolved from petroleum products leaked from an underground storage tank. Based on site characterization data the distribution of BTEX, DO, nitrate, Fe(II), sulfate, and methane were mapped in August 1993 and in July 1994. The August dataset was used as the initial condition in this numerical experiment. Simulations were then completed for 365 days and the model results were compared against the plume distribution observed in July 1994. Figures 4a and 4b compare observed field data and model predictions

L.

Fig. 4: Measured (in July 1994) and model-predicted plumes (concentration in mg/L) a. BTEX, b. Oxygen. c. nitrate. Data from Lu et al. (1999)

El an

254

go

Modelling in Hydrogeology

at the end of the simulation period. The results show that the model has predicted the overall plume patterns reasonably well. In addition, the model also closely predicted the plume front locations. Mass balance analyses indicated that the computed total mass of BTEX in the aquifer at the end of one-year simulation period is close to the total mass estimated from field observations; the overall difference was less than 10%. A detailed sensitivity analysis was completed to quantify the uncertainly associated with various model parameters and these results are discussed in Lu et al. (1999).

4. SUMMARY AND CONCLUSIONS

Contamination of groundwater aquifers by petroleum hydrocarbons is a widespread water resource management problem currently faced by both developed and developing countries. This paper reviews the mathematical details of a publicdomain numerical code, known as RT3D, that can be used for modelling the fate and transport of hydrocarbon plumes in groundwater aquifers. Details of three types of hydrocarbon biodegradation models (listed in increasing levels of complexity), the instantaneous aerobic reaction model, the kinetic aerobic model, and the kinetic aerobic/anaerobic model are reviewed. Of central importance to this paper are the underlying approximations made within the three models. The example problems solved in the paper demonstrate the limits of these approximations. Clearly, the instantaneous reaction model is the simplest model and can be used to predict natural degradation processes at most aerobic sites. Perhaps this method could also be extended for anaerobic sites, by using an effective stoichiometric value, if large amounts of electron acceptors are available. The kinetic aerobic model is the most complex description for the aerobic problem and it can provide useful details about the patterns of microbial growth which can used for quantifying hydraulic conductivity reductions and associated bioclogging effects. The coupled aerobicanaerobic model discussed in this paper is a simple first-order description for modelling the coupled aerobic-anaerobic electron acceptors processes. It can be used for predicting the natural attenuation patterns of large-scale hydrocarbon plumes. However, it is important to note that the first-order rates assumed in the aerobic-anaerobic model are bulk decay rates and they ignore the heterogeneous nature of the microbial growth and decay processes. Each of the three reaction models has its own advantage, and the choice would depend on the type of management question one wants to address. The example problems discussed in this work also demonstrate how different types of reaction kinetic models can be coupled and solved within the generalized RT3D reactive-transport-modelling framework.

REFERENCES

L.

Clement T.P. (2001) A generalized analytical method for solving multi-species transport equations coupled with a first-order reaction network, In press, Water Resources Research, Vol. 37, pp. 157-163. 255

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Modelling in Hydrogeology

Clement T.P., Johnson C.D., Sun Y, Klecka G.M., Bartlett C. (2000) Natural attenuation of chlorinated solvent compounds: Model development and field-scale application, Journal of Contaminant Hydrology, Vol.42, pp. 113-140. Clement T.P., Sun Y, Hooker B.S., Petersen J.N. (1998) Modeling Multi-species Reactive Transport in Groundwater Aquifers, Groundwater Monitoring & Remediation Journal, Vol. 18, No. 2, pp. 79-92. Clement, T.P. (1997) RT3D - A modular computer code for simulating reactive multi-species transport in 3-Dimensional groundwater aquifers, Battelle Pacific Northwest National Laboratory Research Report, PNNL-SA-28967, September. Available at: http://bioprocess.pnl.gov/rt3d.htm.

Clement T.P., Hooker B.S., Skeen R.S. (1996a) Macroscopic models for predicting changes in saturated porous media properties cause by microbial growth, Ground Water, Vol. 34, No. 5, pp. 934-942. Clement, T.P., Hooker, B.S., and Skeen R.S. (1996b) Numerical modeling of biologically reactive transport from a nutrient injection well, ASCE Journal of Environmental Engineering, Vol. 122, No. 9, pp. 833-839. Johnson, C.D., Skeen R.S., Leigh D.P., Clement T.P., and Sun Y. (1998). Modeling natural attenuation of chlorinated ethenes at a Navy site using the RT3D code, Proc., WEFTEC '98, Orlando, Florida, vol.3-part-I: Remediation of Soil & Groundwater, pp. 225-247. Lu G., Clement T.P, Zheng C., and Wiedemeier T.H. (1999), Natural attenuation of BTEX compounds: Model development and field-scale application, Ground Water, Vol.37, No.5, pp.707-717.

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Mayotte T.J., Dybas M.J., and Criddle C.S. (1996) Bench-scale evaluation of bioaugmentation to remediate carbon tetrachloride contaminated aquifer material, Ground Water, Vol.34, pp. 358-367. Newell, C.J., McLeod, R.K., and Gonzales, J.R. (1996) BIOSCREEN: Natural attenuation Decision Support System Users Manual, EPA/600/R-96/087. Phanikumar M.S., Hyndman D.W, Kelly K.C., Wiggert D., Dybas M.J., and Criddle C.S. (2001). Modeling carbon tetrachloride transport and biodegradation in aquifer columns, Draft report, Michigan State University.

Reed P., Minsker B., and Valochi J. (2000) Cost-effective long-term groundwater monitoring design using a genetic algorithm and global mass interpolation, Water Resources Research, Vol. 36, No.12, pp. 3731-3741. Rifai H.S., Bedient, P.B., Wilson J.T., Miller K.M., Armstrong, J.M. (1988) Biodegradation modelling at aviation fuel spill site, ASCE Journal of Environmental Engineering Division, Vol. 114, No.5, pp.1007-1029. 256

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Clement T.P., Peyton P.M, Skeen R.S., Hooker B.S., Petersen J.N., and Jennings D. (1997) Microbial growth and transport in porous media under denitrification conditions: Experiment and simulations results, Journal of Contaminant Hydrology, Vol. 24, pp. 269-285.

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Semprini, L., Hopkins, G.D., Roberts, P.V., Garbic-Galic, D., and McCarty, P.L. (1991). In-Situ Biotransformation of Carbon Tetrachloride under Anoxic Conditions, USEPA Report, EPA/2-90/060. Sun Y., and Clement T. P. (1999) A generalized decomposition method for solving coupled multi-species reactive transport problems, Transport in Porous Media Journal, Vol.37/3, pp. 327-346. Sun Y., Petersen J.N., Clement T.P., Hooker B.S. (1998) Effect of reaction kinetics on predicted concentration profiles during subsurface bioremediation, Journal of Contaminant Hydrology, Vol. 31, pp 359-372. Waddill D.W. and Widdlowson M.A. (1998) Three-dimensional model for subsurface transport and biodegradation, ASCE Journal of Environmental Engineering Division, Vol. 124, No.4, .pp. 336-344. Wiedmeier T.H., Swanson M.A., Moutoux D.E., Gordon E.K., Wilson J.T., Wilson B.H., Kampbell D.H., Haas P.E., Miller R.N., Hansen J.E., and Chapelle F.H. (1998). Technical Protocol for Evaluating Natural Attenuation of Chlorinated Solvents in Groundwater, USEPA Report, EPA/600/R-98/128.

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Zheng C., (1990) MT3D: A modular three-dimensional transport model for simulation of advection, dispersion and chemical reactions of contaminants in groundwater systems, USEPA Report.

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