Lbna2 4262enc - 002

Computational Fluid Dynamics for Indoor
Air Quality Assessment
Giannopoulos Georgios
EUR 24262 EN - 2009
The mission of the JRC-IHCP is to protect the interests and health of the consumer in the
framework of EU legislation on chemicals, food, and consumer products by providing scientific
and technical support including risk-benefit assessment and analysis of traceability.
European Commission
Joint Research Centre
Institute for Health and Consumer Protection
Contact information
Address: Giannopoulos, T.P. 281, Joint Research Centre, I-21020 Ispra, ITALY
E-mail: georgios.giannopoulos@jrc.ec.europa.eu
Tel.: 0039-0332786211
Fax: 0039-0332785867
http://ihcp.jrc.ec.europa.eu/
http://www.jrc.ec.europa.eu/
Legal Notice
Neither the European Commission nor any person acting on behalf of the Commission is
responsible for the use which might be made of this publication.
Europe Direct is a service to help you find answers
to your questions about the European Union
Freephone number (*):
00 800 6 7 8 9 10 11
(*) Certain mobile telephone operators do not allow access to 00 800 numbers or these calls may be billed.
A great deal of additional information on the European Union is available on the Internet.
It can be accessed through the Europa server http://europa.eu/
JRC 56868
EUR 24262 EN
ISBN 978-92-79-15061-6
ISSN 1018-5593
DOI 10.2788/64368
Luxembourg: Office for Official Publications of the European Communities
European Communities, 2009
Reproduction is authorised provided the source is acknowledged
Printed in Italy
JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0
Chemical Assessment and Testing Unit
Contents
Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
CFD models for IAQ assessment
1.1
Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
1.2
Simulation of IAQ experiments through CFD . . . . . . . . . . . . . . . . . . . . . . .
1.3
Indoor sources . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
11
1.4
Airflow and particle transport . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
12
1.5
CFD and chemical reactivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
18
1.6
Human intake and internal organs deposition . . . . . . . . . . . . . . . . . . . . . . . .
19
1.7
Multidisciplinary CFD models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
22
CFD and existing/future experimental activities
24
2.1
Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
24
2.1.1
CFD and INDOORTRON based experimental procedures . . . . . . . . . . . .
24
2.1.1.1
Description of INDOORTRON . . . . . . . . . . . . . . . . . . . . .
24
2.1.1.2
Fluid flows, dispersion of chemicals and indoor chemistry . . . . . . .
27
2.1.1.3
Modeling of sources . . . . . . . . . . . . . . . . . . . . . . . . . . .
28
2.1.1.4
Particles and IAQ . . . . . . . . . . . . . . . . . . . . . . . . . . . .
29
2.1.1.5
Photocatalysis and CFD . . . . . . . . . . . . . . . . . . . . . . . . .
29
HVAC design and CFD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
30
2.1.2
Z:\Quality System\Quality records\Report\PSCM\2009

projects\PSCM09-002 CFD
REVIEW\JRC.I.02.Form.CAT.032A Ver1 Report.pdf
Report
Page 2 of 65
2.1.3
3
Future research activities in the domain of IAQ modelling with CFD . . . . . . .
30
CFD analysis of the INDOORTRON facility for the ETS case study
32
3.1
Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
32
3.2
Geometrical model development . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
32
3.3
Discretization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
33
3.4
Boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
34
3.4.1
Inlet Boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
34
3.4.2
Outlet Boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . .
34
3.4.3
Wall boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
35
3.4.4
Fan system modelling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
35
3.5
Additional variables . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
35
3.6
SST Turbulence model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
35
3.7
Boundary Layer and Turbulence . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
37
3.8
Establishment of the steady state flow . . . . . . . . . . . . . . . . . . . . . . . . . . .
37
3.9
Transient analysis of CO distribution for various air exchange rates . . . . . . . . . . . .
38
3.10 Postprocessing and comparison with experimental results . . . . . . . . . . . . . . . . .
39
References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
46
A Theoretical Elements of CFD Modelling
50
A.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
50
A.2 Continuum Hypothesis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
50
A.3 Lagrangian and Eulerian formulation . . . . . . . . . . . . . . . . . . . . . . . . . . . .
51
A.4 Mach number and area of study . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
51
A.5 Navier-Stokes equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
52
A.5.1 General form . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
52
A.5.2 Incompressible flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
54

Report
Page 3 of 65
A.5.3 Inviscid Flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
54
A.5.4 Turbulent flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
55
A.6 Numerical Solution of fluid equations . . . . . . . . . . . . . . . . . . . . . . . . . . .
60
A.6.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
60
A.6.2 Finite Difference Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
60
A.6.3 Finite Element Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
63
A.6.4 Finite volume method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
64

Report
Page 4 of 65
Abstract
Indoor Air Quality (IAQ) is affected by numerous materials and pollutants like Radon (exists in
some building materials), Carbon Dioxide, Carbon Monoxide, Volatile Organic Compounds (VOCs),
Asbestos fibers just to name only a few. Adverse health effects are known to have their origin to poor
IAQ. The necessity thus to improve IAQ is there and it requires a number of measures to be undertaken.
One of the main difficulties for Indoor Air Quality assessment is that it is not possible to perform
detailed tests for all materials that exist in indoor environments and also for all different combinations of
ventilation, humidity, temperature etc. that obviously influence IAQ. It is important to establish methods
and models that can predict and provide reliable estimations for IAQ for different conditions without
performing tests. Numerous tools have been developed in the domain of IAQ modeling and among others
one can identify Computational Fluid Dynamics (CFD).
The scope of the present report is to demonstrate the importance of CFD tools for IAQ through a
detailed literautre review and also to apply these tools for the solution of a typical IAQ problem that has
been investigated experimentally by CAT Unit in the past. This approach tries to answer to the question
whether CFD is a redundant technique due to its inherent complexity for IAQ with respect to existing
analytical model or not. Clearly this is not the case. The main advantage of CFD over traditional models
is that it is not based on the traditional assumptions of analytical models. As example we mention the
N-box model that is used for modeling the concentration of a chemical substance in an enclosed environment. This model is applicable only when the steady state of the problem is achieved and the transient
phenomena have been attenuated. It requires a well mixed environment (homogenous) without stratification of the substance. The concentration outcome is independent of the spatial coordinates. Using CFD
techniques it is possible to depict the whole evolution of the phenomenon through time and also to have
a clear view of the substance concentration over the whole volume of the enclosed environment.
Going one step further, CFD techniques are indispensable in order to assess more complex indoor
air quality problems. This is the case for example when energy efficiency is required, respecting the
air quality standards. This multidisciplinary problem cannot be assessed through simplified analytical
models. These multidisciplinary problems are coming at the forefront of health and environment research.
This is further enhanced by the initiatives of EU to derive directives that are towards this direction. The
technical knowledge that is required cannot be always achieved through existing classical modeling tools.
In order to further demonstrate the added value of CFD techniques one can mention IAQ research
projects that treat the problem using an integrated approach: Emissions of materials, air circulation, energy efficiency, sensor systems even intelligent materials for air purification (photocatalysis) are treated
all together in order to define the optimum performance of a building as far as the IAQ is concerned
considering all these parameters. An example of such a project is CLEAR-UP that is in full development
and CAT unit is actively participating.
The report as far as the review part is concerned is structured following an increasing complexity
approach. Firstly the CFD models that aim to simulate experimental procedures (e.g. materials emissions) are presented. Then the report covers part of the CFD models for the emissions of indoor sources.
Report
Page 5 of 65
Then it is focused on airflow in indoor environments and the corresponding particle transport and consequently the chapter with chemical reactivity coupling is added. CFD models that attempt to evaluate
particle deposition and human intake in internal organs follow. Finally a section is dedicated to interdisciplinary works that attempt to demonstrate a holistic approach. In order to facilitate the reader with
some of the terms used throughout this report, an Appendix has been dedicated to the essential theoretical
elements of CFD modelling and it is placed at the end of the present report
Suggestions for further research are provided as well. One thing that should be clear to the reader
is that the list of papers that have been reviewed is not extensive. In each of the previously mentioned
categories a certain amount of representative works is cited. Based on these papers one can further
expand his possibilities for further studying.
The second part is dedicated to the simulation of the ETS (Experimental Tobacco Smoke) experiments that have taken place back in 2004 in the INDOORTRON facility. The comparison of the CFD
results with the ones obtained from the experiments can provide concrete evidence for the validity of the
simulation. All steps of the model development are presented as well as the corresponding results. The
aim is to understand in a better way what are the conditions inside this environment in terms of fluid flow
and also to acquire experience that can be later used for further studies that include more complicated
cases like heat exchange, reactive chemistry (Photocatalysis) etc.

Report
Page 6 of 65
Chapter 1
CFD models for IAQ assessment
1.1
Introduction
The use of CFD models and techniques for indoor air quality assessment has been extended lately
in order to cope with the increased requirements for the assessment of internal spaces considering also
HVAC (Heating Ventilation Air Conditioning) demands. In general, analytical simplified models are
widely used for the assessment of indoor air quality. As an example one can mention the software
developed by EPA [3] that consists of several modules that can handle different cases including particulate
matter distribution, new carpet VOC emissions, small scale indoor solvent spills, VOC emissions from
solvent-based indoor coating materials and also general cases.
A similar approach has been implemented for the GExFRAME a web-based software tool developed by the European Commissions Joint Research Center [4]. Analytical models are introduced for a
number of models and scenarios that include spill source, paint source, N-box dispersion models, spray
models etc. Among the main characteristics of GExFRAME are the capability of performing probabilistic analysis through Monte-Carlo techniques, as well as to combine different sources and situations
through user defined scenarios and models.
In order to follow an hierarchical approach the work in bibliography is presented firstly for the distribution of chemical agents and particles in confined environments, then the work performed on indoor
air chemistry that takes place and finally the human intake and the corresponding deposition in the respiratory organs. This approach provides a complete information for the whole chain of air contaminants
distribution, their reactions and finally their deposition and interaction with the human body.

Report
Page 7 of 65
1.2
Simulation of IAQ experiments through CFD
Nielsen [5] at the beginning of his work has presented a very simple but yet complete definition of
CFD for Indoor Air Quality. We put the exact part of this work in order to make clear to the reader what
is the core idea of CFD.
The prediction of flow is based on a solution of the fundamental flow equations. They consist of the
equation of continuity, three momentum equations (one in each coordinate direction), the energy equation
and perhaps a transport equation for contaminant distribution. All equations are time-averaged and the
local turbulence is often expressed as a variable diffusion coefficient called the turbulent viscosity. This
viscosity is often calculated from two additional transport equations, namely the equation for turbulent
kinetic energy and the equation for dissipation of turbulent kinetic energy. The room is divided into grid
points. The differential equations are transformed into discretization equations formulated around each
grid point and an iterative procedure is used in the numerical method.
The state of the art in materials emission testing is based either on emission test chambers or
emission test cells. The latter is more convenient for testing due to its reduced size and easier setup.
A standardized method to perform material emissions measurements experimentally is the use of FLEC
(Field and Laboratory Emission Cell). Details on this structure and the way it is used can be found in [6].
A schematic representation of this structure is presented however in Figure 1.1.
Although FLEC is a standardized method for the estimation of emissions from materials its performance is heavily depended on the air velocity that is introduced in the FLEC cavity as well as the flow
pattern inside the emission material area. The importance of studying these parameters has been revealed
from the very beginning and a number of analyses have taken place. Uhde et al. [7] have performed an
analysis in order to evaluate the influence of the air velocity and the air flow field at the internal of the
FLEC. They have performed both theoretical as well as experimental studies for the flow field.
At theoretical level, they have used a simplified air flow model that did not require the solution of
the Navier-Stokes equations in order to avoid the excessive computational cost that is required for the
solution of these equations. Although the analysis is not very accurate it has been possible to derive a
theoretical profile of air velocity from the slit as a function of the angle from the two entrance points and
it has been also obvious that the flow field is not the same over the specimen surface. Due to the fact that
the theoretical model was not accurate enough, an experimental assessment has been also carried out.
The experimental procedure took place using a hot-wire anemometer and it clearly demonstrated
that the flow field inside the FLEC is not homogenous. However, this is important only in case of
particular emission rate measurements like spill sources, whereas for a large surface of a specimen this
is not a particular problem since these differences are averaged. Although the latter is basically true, the
theoretical and experimental models could not provide accurate information on this issue as it could have
been the case if the Navier-Stokes equations have been solved using CFD techniques.
Zhang et al. ([8]) have extended the work on FLEC including in the theoretical model the accuracy
that was missing. They have recognized the importance of local convective mass transfer coefficients
Report
Page 8 of 65
Figure 1.1: FLEC structure (From [8])

for the correct evaluation of emission rates of materials inside the FLEC cavity. In order to perform this
analysis they have solved the Navier-Stokes equations for laminar flow and humidity. In order to model
the humidity which is the core of their analysis, an equation for the conservation of water vapor has been
introduced and solved while it has been coupled with the rest of the basic CFD equations (Conservation
of mass, conservation of momentum). The use of laminar flow assumptions reduces the accuracy of
the analysis especially close to the air entrance where most probably turbulent flow conditions exist. A
cross-section of the FLEC is shown in figure 1.2.
The CFD model that has been developed was solved using 61318 hexahedral elements and implementing a finite volume technique. The discretization is shown in figure 1.3.
Obviously the main target of this work is to demonstrate the effect of the various parameters in
the emission measurements and thus the evaluation of the convective mass transfer coefficient is critical.
This work demonstrates both theoretical as well as experimental results. The analysis is based on the
Sherwood number that gives the ratio of convective over diffusive mass transfer and thus accounts for the
effect of the flow type on the experimental procedure. Although it seems that the current model works
quite well and provides reliable results, close to the air slit this is not the case and it is most probably due
to the fact that the airflow is most probably turbulent. However, it seems that it does not really influence
Report
Page 9 of 65
Figure 1.2: FLEC structure cross section (From [8])
Figure 1.3: Meshed structure of FLEC (From [8])

the performance of the FLEC for air flow rates that are bellow 1000 ml/min because the air comes out
saturated. The accurate evaluation of the air flow field inside the FLEC becomes more important for
higher flow rates.
In order to support the theoretical results a number of experimental procedures took place. The
principle that has been implemented was the one of putting several glass disks of various diameters and
the space between the FLEC wall and the disk is covered by water. THe humidity of the air that leaves
the FLEC is measured and it is compared to the humidity of the air that is entering the FLEC giving thus
a good experimental estimation of the Sherwood number (in fact Nusselt number for mass exchange). In
general although the analysis seems to be very accurate and it provides a very good estimation of the flow
in the FLEC, this is not translated to information or suggestions about the optimal flow range in order to
be able to have reliable experimental results for emission measurements.
Report
Page 10 of 65
In line with Zhang et al. [8], Zhu et al. [9] have performed a similar analysis for the FLEC
apparatus. However, they go a step further and apart from the flow field evaluation the target has been to
include also the VOC emissions from building materials.
1.3
Indoor sources
Building materials can be in several cases major sources of VOCs (Volatile Organic Compounds)
that deteriorate indoor air quality. However, the modeling of these sources is not a straightforward. In
fact 2 large categories of models can be distinguished (Deng et al. [10]): CFD models that include
internal diffusion in the source material and models that do not include this phenomenon and include
only the adsorption/desorption effects at the interface between material and air-phase. The first category
of models need special treatment to be solved due to the discontinuity between the concentration at
the internal of the material and the concentration at the air-phase. The dependent variable for CFD
models is the concentration of the VOC in the air-phase and thus discontinuities are difficult to be treated
numerically. The second approach seems to be more adapted to CFD modeling.
Murakami et al [11] have worked on the assessment of VOC emissions from building materials.
They have based their analysis on fundamental physicochemical models that explain how the internal
diffusion of building materials influence the concentration of these substances in indoor air. The corresponding mathematical models are presented and they have been implemented using CFD in order to
evaluate their validity. However, due to the problem of the discontinuity, they have simplified the problem
by eliminating the influence of the internal diffusion in the material and have worked directly with the
air-material interface. However, it worth presenting a scheme that has been included in their work and
shows the two different approaches.
(a)
(b)
Figure 1.4: (a) Diffusion and adsorption of VOC in the internal of a building material (b) Adsorption
and desorption of VOC at the air-material interface
Two materials are examined in this work, one emitting VOCs and the other having a passive performance that affects the indoor air quality only through adsorption/desorption. This is a typical scenario
that can be applied using analytical models as the ones used in GExFRAME and IAQX where there the
Report
Page 11 of 65
assumptions of well mixed air and equal distribution throughout the volume of the room are applied. The
results of the work of Murakami et al. show clearly that this does not hold (although this was not among
the targets of this work). Additionally the use of various simplified adsorption models (Langmuir, Henry,
Polanyi DR) may have significant differences in the obtained indoor VOC concentrations.
Returning to the work of Deng et al. [10] we can see that they followed as well the approach
of Murakami et al., however, they introduced a slight modification of the boundary conditions in order
to fulfill the continuity of the concentration at the material-air interface. An example where the first
approach has been applied is the work of Yang et al. [12], but they did not present a CFD model.
1.4
Airflow and particle transport
In the work of Song et al. [13] they have proposed the establishment of a zonal model in order
to avoid the complications and the long computational time that is required for CFD models. The main
characteristic of this zonal model is that is based on the air age parameter which in facts defines the
mixing condition of the air in the room and also it is based on the location in the room of key sources like
heat or pollutant sources. Using distributions of air age parameter that indicates the time that a certain
air quantity has entered into the room it is possible to define the mixing conditions in the room. The
example that is presented in this work is the one of a room with mechanical displacement ventilation
where obviously turbulence has been neglected and only an average flow is concerned close to the areas
of the ventilation moment source. In any case the zonal model cannot be used for the calculation of the
air age parameter but it has to be already defined using an experimental or another theoretical procedure.
The experimental procedure is cumbersome and it requires extensive preparation and experimentation
time and for this reason a CFD model has been developed and solved for the tracking of the air flow. The
next step is to separate the room into zones based on the air age deviation which in fact is the difference
between the minimum and the maximum value of air age in the room. The corresponding value exists
also for each of the zones in which the room has been initially divided (this division takes place based
on the air age distribution results as obtained from the CFD calculations). A refinement takes place in a
subsequent step where the source effects are added.
The calculation of the airflow from each zone to the subsequent ones is then performed using
analytical methods. Having obtained the airflow rate between adjacent zones, a slight differentiated Nbox model is used for the calculation of the concentration of pollutants in each of the room zones. In
order to demonstrate the similarity between the N-box model and the current one, the equation of the
concentration of pollutants is presented:
Vi
X
X
dCi X
=
Vji Cj
Vij Ci +
Si
dt
j6=i
j6=i
(1.1)
where Vi is the air volume in zone i, Ci is the concentration of pollutants in zone i and Vij , Vji are
the flow rates between the i and j and j and i zones and finally S is the source of pollutants in zone
Report
Page 12 of 65
i. In general the whole method is in fact an N-box model where the zones in one room are in fact the
boxes of the N-box model. The additional work that has to be done is the establishment of the zones and
the calculation of the air-flow between the various zones, calculations that are carried out analytically
ore even with the use of CFD results. Obviously the method is not totally autonomous but it is a step
further with respect to a traditional analytical model that assumes that the pollutants are well distributed
and the indoor air is well mixed. Case studies performed with this method showed that the accuracy
of the method is quite close to the CFD results. However, it has the advantage that the use of CFD
is restricted on the definition of the zones and then the analysis for long periods of time is done using
the analytical formulation which highly reduces the computational effort and makes it suitable for year
around monitoring of pollutants concentration.
In the same context it worth mentioning the work of Wang et al. [14] that demonstrated the influence
of certain assumptions in multi-zone models.
In the work of Srebric et al. [15] the focus is on the establishment of the correct boundary conditions
for CFD calculations. Among other points of attention in CFD calculations, the establishment of the right
boundary conditions is very important and in this work three different categories of boundary conditions
are identified and evaluated. These are the boundary conditions for point sources (area of the source),
the radiation/convection heat transfer boundary conditions and finally the shape and size of the human
simulators when mannequins are included in the analysis as in the work of Murakami [16]. What is
however very interesting and important in this work is that the theoretical work has been coupled with
experimental analysis performed in an INDOORTRON like environment. The experimental set up and
the corresponding points of measurement are shown in figure 1.5.
(a)
(b)
Figure 1.5: (a) Experimental room configuration (1: Human simulator, 2: Computer, 3: Table, 4: Cabinet, 5: Lamp, 6: Window, 7: Supply, 8: Exhaust (b) Measurement devices positioning
Each boundary condition is tested separately in order to identify its effect on the CFD calculations.
The point source obviously cannot be represented as point and it requires to be represented by a finite
surface. The size of the surface defines the size of the CFD grid and as a consequence the computational
Report
Page 13 of 65
time that is required for the simulation. Additionally the authors distinguish the sources into passive
and active with passive point sources being the ones that exist in areas of the indoor environment with
well established air-flow and active the ones that are combined with heat source. Three different areas
were considered for the point source with ratios between them being 1:11:100 with the smallest being
6 6 mm. For the passive point sources the difference in the results between coarse and fine mesh (large
and small surface area) is small. However, this is not the case for active sources where the air-flow
field cannot be known accurately, a large increase in the surface area of the point source can introduce
significant errors.
The heat flux that is released from the human simulator is a combination of both radiation and
convection. As it is stated by the authors it is not clearly known what is the ratio between convection
and radiation in the total amount of heat flux. Based on validation results they concluded that more
accurate results are obtained using a convection to radiation ratio that is 30:70. The importance of thermal
boundary conditions is beyond dispute since it alternates the air-flow pattern and thus the contaminants
dispersion.
The results on the variation of the dimensions of the mannequins showed that there is a correlation
between these dimensions and the influence on the flow field velocities. The dimensioning problem
of the human simulator is due to the fact that the exact human geometry is avoided due to the high
computational cost that emerges from the detailed geometry. The human simulators have thus simplified
geometry, however, there is still a lot of research to be done in order to find a quantity that affects with
the same way the environment in which it is in as if it has been introduced the exact geometry.
Among the main issues for modeling the transportation of particles in confined environments is that
they are considered responsible for the deterioration of indoor air quality. Additionally, particles serve
as carriers of pollutants or even bacteria and obviously their dispersion pattern is of extreme importance.
Hryb et al. [17] tried to provide an overview of the various CFD models that are used for the simulation
of particles dispersion. They have divided their work in two categories: Lagrangian and Eulerian models.
As it has been stated already in previous parts of the present work, both Lagrangian and Eulerian formulations are used in order to simulate the dispersion of particles. However, we start this section mentioning
firstly the work of Hryb et al. due to the fact that they have gathered the dominant models and also they
provide guidelines about the formulation that has to be used depending on the fluid flow that is under
consideration.
According to the authors the modeling of the particle transport requires the modeling of the continuous phase, modeling of the discrete phase (particles) and the interaction between these two. The
standard procedures that exist can be separated in 2 categories: Eulerian-Lagrangian which means that
the flow is Eulerian and the particle movement modeling Lagrangian and Eulerian-Eulerian where both
the flow and the particle tracking are performed using Eulerian formulation. In the latter it is possible to
use an one fluid or two fluid formulation. In the case of the two fluid formulation these interact through
their interfacial properties. We remind at this point the inherent incapability of the Eulerian formulation
to determine the exact position of particles. In the case of an one fluid model an algebraic equation has
to be solved that in fact defines the velocity of the particles with respect to the one of the flow with the
introduction of the particle-fluid slip velocity. On the other hand, the Eulerian-Lagrangian formulation
Report
Page 14 of 65
has the inherent capability to capture the trajectory of the particle requiring however the calculation of
the fluid flow. The Random Walk Model is used in most cases to calculate the trajectory, a calculation
that is decoupled from the flow evaluation. According to the Random Walk Model, the mean path of
the particles trajectory is calculated from the averaged part of the flow. The instantaneous flow field
defines the dispersion of the particles with respect to the mean flow and this is done by the application
of a fluctuating velocity term that is calculated also based on random number generators. One can find
more information in the work of Zhang et al. [18] and Dehbi [19], just to mention only a small part of
the published works that are available in literature.
Another important parameter that is the coupling between the two phases. Depending on the particle volume fraction, three different coupling categories are defined. The one way coupling is taking
place for particle volume fraction that is ap < 106 . In that case the fluid flow is not influenced by the
existence of the particles. When the particle volume fraction is 106 < ap < 103 a two-way coupling is
considered, where the flow is influenced by the particle concentration. Finally with the particle volume
fraction being higher than 103 a four-way coupling approach is considered meaning that the interaction
between particles is accounted.
Within the context of particle dispersion, another work of Zhang et al. [20] is particularly interesting simply because it compares the two different modeling methods that have been already mentioned,
namely Lagrangian and Eulerian formulation. The analysis simulated the dispersion of particles at a
certain part of an aircraft cabin caused by a coughing passenger. The analysis showed that for steady
state flow conditions the Eulerian formulation can be more efficient due to the fact that the particle phase
can be considered as a continuum and a single fluid model can be established. At the same time, the
Lagrangian formulation is more time consuming since it requires the tracking of each particle throughout
its path. However, this image is totally inverted for unsteady fluid flow. In that case the transport of
the particles is performed by an unsteady flow and their concentration may change abruptly from one
computational cell to the other. According to the Eulerian formulation during a certain time step the concentration is assumed to be constant and thus a relatively small time step is required in order to reduce
the computational error which leads to extended computational time. On the other hand, the Lagrangian
formulation does not require a substational increase in the computational time mainly due to the fact that
the tracking of the particles is taking place in the same way for both steady and unsteady state flows, with
the only difference being the calculation of the turbulence of the fluid flow. In the same direction is also
the work of Zhao et al. [21] where in fact they have applied the same models with slight variations for
the calculation of the turbulent flow in the case of Eulerian-Lagrangian model. However, according to the
authors, simulations that took place for 10 m particles showed clearly that both Eulerian - Lagrangian
and Eulerian - Eulerian models provided relatively accurate results. However, the latter did not prove to
be enough accurate and this is an issue for further investigation. In any case the domain of particle dispersion and deposition in combination with turbulent flow is an issue that requires further work. In general
the literature that exists in this domain is vast, in the present work a representative part of it has been
presented in order to demonstrate the principles that describe this problem and the standard techniques
that are used.
A work similar to the one of Hryb et al. [17] has been presented by Liu et al. [22] that focuses
on the categorization of the various models that exist for aerosol particle and droplet transport modeling.
Report
Page 15 of 65
According to the authors three different categories of models are identified: a) The lazy particle model, b)
The isothermal particle model and c) The vaporizing particle model. In fact these models are more or less
a different name of the previously mentioned models. It is again considered that the flow is modeled on
an Eulerian basis. In the lazy particle model the trajectory of the particles is evaluated through the flow of
the continuous phase. For the concentration evaluation of particles the transport equations for gas-phase
are considered. In the isothermal particle model a Lagrangian formulation is considered for the particle
trajectory, and thus it is essentially an Eulerian-Lagrangian method that has been already presented. The
vaporizing model includes also heat and mass transport terms, which is particularly important for the case
of water droplet as well as in other similar cases.
An interesting paper is presented by Zhao et al. [23] on the CFD analysis of particle dispersion in
a room ventilated through a personalized ventilation system. Personalized ventilation systems are used
in a number of structures like aircraft cabins or even in cars. In their models the authors incorporate
turbulence through the zero equation model that is a simplified approach to include turbulence. They
have also based somehow their research on the results of Murakami [16] where the heat plume around
the human body affected the quality of inhaled air. The authors have demonstrated that a personalized
ventilation system can effectively alternate this airflow around the human body. This is a desired effect
in order to reduce the respiration of particles in the range of 0.5 to 2 m that are easily transported by
this air current that is developed around the human body. However, the study showed that the trend for
larger particles (in the range of 10 m) is inverted. A ceiling ventilation system may be more effective.
In fact the downward air stream helps the deposition of heavier particles in the floor. The personalized
ventilation system can in fact help resuspension that increases their concentration at breathing level. It
is an excellent example of work that demonstrated clearly that ventilation systems should be tailored
carefully to the pollutant that is under consideration.
A particularly interesting work is the one presented by Zhang et al. [24] due to its innovative approach. In general CFD tools are used in order to identify the dispersion of chemical agents, particles
etc. knowing the position of the source and the flow conditions. However, Zhang et al. present an inverse
approach where they identify the position and the power of the source using CFD models. Inverse problems are ill-posed from a mathematical point of view and usually they require an optimization scheme to
obtain the solution since different causes can have the same effect.
The approach that has been used is that the direct problem using CFD models is solved. Using
as initial condition the contaminants distribution inside a confined environment the slightly modified
transport equations are solved with a negative time-step. The equations are modified since a negative
time step would lead to instability. A difficulty that emerges is that as we go back the end of the time
period is not known since we do not know when the distribution of the contaminant may have started.
In order to overcome this difficulty it is necessary to define properly the correct boundary conditions
(thermal, geometrical characteristics, etc.). As an example the direct and inverse CFD modeling for the
distribution of pollutants in an aircraft cabin is presented in figures 1.6.
A review article on this issue has been published by Liu et al. [22], however, the work of Zhang
et al. is not included. Among others this review paper includes inverse modeling methodologies for
multi-zonal models.
Report
Page 16 of 65
Figure 1.6: Comparison of contaminants distribution at the same time instance a)Inverse CFD modeling
b) Direct CFD modeling c) Inverse peak concentration d) Direct peak concentration (From [24])
The importance of the work of Zhou et al. [25], [26] is that a CFD methodology is used in order to
present an holistic approach on the IAQ issue coupled with energy efficiency. This is a core business of
the EPBD (European Performance Buildings Directive) of the European Commission. This work proves
without any doubt that these two issues (IAQ and Energy Efficiency) cannot be considered separately but
it is more a horizontal action that requires an interdisciplinary approach. In this work it is mentioned
as a case study the effort of the Canadian public administration to reduce the ventilation -among other
measures - in order to improve the energy efficiency of buildings. The IAQ deteriorated with substantial
increase of sick building syndrome symptoms.
An optimization procedure has been set up in order to provide an optimum combination of ventilation and energy efficiency. The optimization is taking place through a Genetic Algorithm. However, a
Genetic Algorithm approach requires a huge amount of calculations that in the case of CFD calculations
is not possible to take place without the use of a supercomputer or a cluster of machines that are dedicated
to solve the CFD problem with variations in the input data. Instead, a Neural Network Approach has been
established in order to reduce the amount of calculations that are necessary with the CFD model and thus
render the whole procedure more effective and time efficient. It worths presenting here the objective
function that had to be optimized (in this case minimize).
"
J(x) = M in wtc
X ABS(P M Vi )
P M Vmax

+wf an
Ef an
Ef anmax

+ wcooling

!
+ wiaq
Ecooling
Ecoolingmax
Report
vmax
v

+ PT
(1.2)
Page 17 of 65
where i denotes the number of occupants, PMV is the overall thermal comfort assessment index and it is
evaluated for every person separately, and wtc , wiaq , wf an , wcooling are the weighting factors for thermal
comfort index, IAQ index, fan power index and cooling power index respectively.
In Part II of the paper, results based on the efficiency of buildings ventilation are presented. In any
case, although the authors claim that this optimization scheme has been efficient, there are many parameters that are still missing in order to obtain a valid model for efficient coupling of energy consumption and
indoor air quality. For example there is no mention for particle transport and deposition as well as for the
emission rates from furniture that alternate the indoor air quality. It is also true that the substances like
formaldehyde that without any doubt deteriorate the quality of indoor air, cannot be quantified through
occupants perception (with a similar to PMV index) and thus it is difficult to include it into a cost function.
The inclusion of such parameter would heavily alternate the performance of such optimization schemes.
A solution could be the availability of clinical studies that could establish a relationship between exposure
and health impact that is reflected to a certain economic impact.
The work of Deng et al. [27] is particular interesting from the application of CFD point of view
for IAQ assessment. In their work the VOC distribution into a room with a new carpet is simulated
using CFD. The study has taken place for a typical apartment unit while the flow conditions have been
considered to be turbulent. A k- model has been used for the evaluation of the turbulence. The results
obtained show relatively good correlation with the experiments. Additionally they have demonstrated
that there is a good reason for increasing the ventilation of indoor environments in order to increase the
air quality, which is of course expected.
1.5
CFD and chemical reactivity
In the previous section the distribution of the pollutants and in general the transport phenomena
have been presented. The next important step in understanding IAQ is to include reactive chemistry (reactions between pollutants, catalytic phenomena, etc.). Towards this direction the work that is presented
in the work of Estivill et al. [28]. The work provides an holistic approach including CFD modeling with
irradiation modeling and photocatalytic reaction kinetics in tandem with experimental procedures. The
photocatalysis presented here is aiming to degrade the VOC pollutant TCE (Trichloroethylene) for better
indoor air quality. The irradiation is taking place through UV light which raises the criticism that it is
quite inappropriate for indoor environments since in general visible light prevails in enclosed environments and thus existing lighting sources that exist anyway, are useless with this kind of photocatalytic
material. The experimental setup used is shown in figure 1.7.
The authors performed a preliminary CFD analysis in order to evaluate the flow inside the experimental apparatus whether it is turbulent or laminar. Results showed that a laminar flow field is established,
however, this is always subjected to the gas velocity in the chamber and obviously for higher velocities
the flow regime would change to turbulent. The rate equation that the authors have included in their work
is a Langmuir-Hinshelwood type model with the inclusion of radiations intensity since the reaction rate
is influenced by this parameter. An example of CFD analysis results are shown in figure 1.8.
Report
Page 18 of 65
Figure 1.7: Photocatalytic experimental set-up (From [28])

Mohseni et al. [29] have presented a similar work on photocatalysis, however, it has been substantially simplified with respect to the work of Estivill et al. [28]. They present a comparison of CFD and
experimental results with the experimental setup being similar to the one of the Estivill et al. The main
issue has been also here the determination of the surface reaction rate. This is not straightfoward even if
experimental results are available since these results in the majority of cases provide only the difference
in the concentration of the pollutant between the input and the output of the air/pollutant mixture. A
try and error procedure has been followed to extract the surface rate constant and this has been later on
adapted for the light intensity through a linear relationship. An excellent review work by Mo et al. [30],
provides large amount of information on photocatalysis and gives the opportunity to better understand
this fast evolving field.
1.6
Human intake and internal organs deposition
A domain that has not been thoroughly examined using CFD techniques is the one that refers to
the effects of the IAQ on humans and especially with the human respiratory system. This is taking place
for various reasons. One reason is that the geometry of various parts of the respiratory system is difficult
be accurately represented. A second problem is that many of the mechanisms that are taking place in
the human respiratory system are on a very small scale and thus the development of an accurate model
would lead to excessive computational time. The main reason for studying the upper respiratory system
is to identify positions of the respiratory system where deposition of droplets and particles takes place
even before the lungs. This is important for both medical treatment purposes as well as for the risk
assessment due to exposure into chemicals. The difficulty of the problem lies on the complex geometry
of the respiratory system, the need for turbulent flow modeling and finally the lack of experimental data
that could confirm the numerical simulation results.
Jayaraju et al. [31] presented a quasi complete approach with both experimental and numerical
Report
Page 19 of 65
Figure 1.8: Molar concentration over the phototcatalytic plate for flow rate 2.3 l/min, and luminal
intensity 73.5 W/m2 (From [28])
analyses of the mouth-throat. A simplified experimental model has been constructed using CT images
and rapid prototyping techniques. The CFD model has been solved using FLUENT and the formulation
that has been implemented was an Eulerian-Lagrangian. The Eulerian formulation for the fluid phase
has been solved implementing turbulence models. The Lagrangian formulation is implemented for the
particle phase and it seems from the formulation that one-way coupling has been implemented. The
flow as it is simulated by LES (Large Eddy Simulation) model is shown in figure 1.9. The solution
of the particle phase provided information about the deposition efficiency in the various parts of the
mouth-throat system. This is of interest in order to understand the efficiency of therapies with respiratory
drags. In any case this work has demonstrated clearly that such kind of analyses can provide valuable
information for human respiratory system and particle deposition.
In the same direction is the work of Zhang et al. [32]. They have presented the simulation of
particle deposition in the tracheobronchial (TB) airway using CFD models that have been solved using
the commercially available software CFX. With respect to the work of Jayaraju et al. [31], Zhang et al.
[32] are going a step further analyzing the deposition in the TB airway that is far too complicated for
a complete analysis. They have introduced an approach similar to super elements where they analyze
part of the TB with several bifurcations and the data obtained (velocities, turbulent parameters etc.) are
used as input for the next analysis level. Only a representative part of the lung is solved since a complete
analysis is not feasible considering that a 16th generation model requires the analysis of 21 5 branches.
In figure 1.10 a schematic representation is shown in order to give an overview of the approach that has
been implemented.
The evaluation of the particle deposition is based on the DEF (Deposition Enhancement Factor)
Report
Page 20 of 65
Figure 1.9: Flow simulation using LES model in the mouth-throat. (From [31])
Figure 1.10: Schematic representation of bifurcation units. (From [32])

Report
Page 21 of 65
Figure 1.11: Deposition Enhancement Factor for various levels of TB (From [32])
parameter that in fact provides an indication of high particle deposition in certain areas. Results for
various levels of TB are shown in figure 1.11.
1.7
Multidisciplinary CFD models
The work of Murakami [16] is particularly interesting since it bridges the gap between CFD calculations for IAQ and eventual health effects with these evaluated through detailed CFD models. This work
is divided in three parts: First part is focusing on the flow and temperature fields calculation around the
human body, the second part is focusing on the analysis of the quality of air inhaled and exhaled from
the human body and finally a model for the microclimate around human eyes is taking place in order
to study the dry eyes syndrome. The flow around the human body is considered turbulent and thus the
low-Reynolds number k- model is used as well as the LES (Large Eddy Simulation).
The modeling of the flow around the human body is done for two different postures (standing still
and sleeping) into a room with ventilation rate being 1.7h1 . For the standstill position it is observed that
there is a very thin layer of air that does an upward airflow. As an example and verification of the CFD
models the airflow around the human shoulder is presented in figures 1.12.
Special attention has been given to the modeling of the heat loss due to radiation and convection.
The heat loss due to each one are more or less at the same magnitude and thus it is very important to couple
both during the analysis and this is stressed out by Murakami. Although the work that is presented in this
paper is very interesting for both airflow and heat transfer around human body, the most interesting part
is the one that refers to the analysis of the flow field due to inhalation and exhalation. The analysis of
the flow around the human body has shown clearly that the inhaled air is transported from near the floor
of the room through upward flow. It is astonishing that according to the author of the paper, one third
of the inhaled air is coming from the area around the mouth while two-thirds are coming from below.
Report
Page 22 of 65
(a)
(b)
(c)
Figure 1.12: (a) Real human body airflow at shoulder area (b) Experimental with thermal mannequin
(c) CFD simulation
The evaluation of the inhalation of pollutants from humans is done through the establishment of the CRP
(Contribution Ratio Pollution Source) which in fact defines the contribution of each pollutant source in
the inhaled air. It is similar concept to intake fraction, however, it is more detailed since it needs the use
of detailed CFD models to evaluate the contribution of each pollutant source since it is not assumed that
the internal air is homogenous with equal distribution of pollutants in the whole volume. As an example
of the CRP calculation two figures are presented (figure 1.13) for the same room with the mannequin in
standing and sleeping posture.
(a)
(b)
Figure 1.13: CRP calculation (a) Standing Posture (b) Sleeping Posture

Report
Page 23 of 65
Chapter 2
CFD and existing/future experimental
activities
2.1
Introduction
In the previous paragraphs it has been clearly demonstrated that CFD can be a powerful tool in
order to treat multidisciplinary IAQ problems of various complexity. In this chapter the aim is to perform
the connection of the CFD tool with the existing experimental data obtained from various measurement
campaigns and also to underline the importance of the tool for the future planning of several experimental
procedures that are related to IAQ. Going a step further, CFD tools can serve as the basis to improve future
research capabilities concerning the HVAC domain with the coupling of IAQ and energy performance
requirements. The aim in this section is to demonstrate the potential of CFD tools to support existing
research activities and propose efficient use for future research activities.
2.1.1
CFD and INDOORTRON based experimental procedures
2.1.1.1
Description of INDOORTRON
The intention of the introduction of the CFD tools in the resources of CAT unit is to use it as a
complement to the INDOORTRON Facility which is a 30 m3 walk-in environmental chamber permitting precise control of parameters such as temperature, relative humidity, air quality and exchange rate.
Within its large working space, it is possible to measure emissions from equipment, determine the release dynamics of materials, test models that predict pollutant concentrations, evaluate the efficiency of
air-cleaning devices and carry out human exposure studies.
Only stainless steel, glass and non-stick polytetrafluoroethylene (PTFE) polymer coatings were
used in constructing the airtight chamber to minimize pollutant adsorption and emission by the inner
Report
Page 24 of 65
walls. Internal heaters/coolers and a surrounding insulated jacket enable the internal temperature to be
maintained with a high degree of accuracy. Ceiling-mounted blowers and a series of fans mix the air
and ensure an even temperature distribution. For experimental purposes, the INDOORTRON is filled
with ultra-clean pre-dried and filtered zero air. Controlled humidification is achieved by steam injection
into the dry airflow immediately before it enters the chamber. Sealable sampling and monitoring ports
distributed over the sidewalls give the flexibility to adapt the unit to different types of test programme.
The facility incorporates a control room equipped with a computer system for remote control of climatic
parameters, as well as analytical laboratories for on-line monitoring of inorganic compounds and VOCs,
and off-line determination of VOCs. The associated laboratories are equipped with state of the art instrumentation: HPLC, GC-FID, GCMS and emission chambers of various sizes. In figure 2.1 the structure is
clearly depicted.
Figure 2.1: Indootron structure

The dimensions of the structure are shown in table 2.1
Table 2.1: Dimensions of the INDOORTRON structure
Internal Chamber Dimensions
Door Opening Dimensions

Window Dimensions
Width
Depth
Height
Volume
Height
Width
Height
Width
3.00 m
4.00 m
2.5 m
30 m3
2.00 m
1.1 m
0.80 m
1.2 m
The parameters that are controlled and the corresponding ranges are depicted in table 2.2
Report
Page 25 of 65
Table 2.2: Contoled parameters in INDOORTRON

Temperature range
Temperature contancy
Climate Working Range
Temperature contancy in working range
Humidity range
Humidity constancy
Dew point range
Clean airflow
Purge air flow
Total VOCs clean air residual
+15 to +45o C
+/-0.5o K
+15 to +40o C
+/-0.5 K
20 to 90% R.H
+/- 5 % R.H.
-7o C +38.5o C
3 to 60 m3 /h
180 m3 /h
5 g
Among the important parameters of the INDOORTRON chamber is its air tightness. The criterion
that the later should fulfill is that the air flow leaking at an overpressure of 1000 Pa (0.01 atm) should be
less than 104 chamber volumes per minute (this is equivalent to a decrease of the overpressure to half its
value in more than 70 minutes). Controlled amounts of mixtures of VOCs can be injected automatically
into the dry, clean air flow to the test chamber yielding calibrated total chamber concentrations down to
1 mg/m3 with concentrations of single VOC down to a few g/m3 . For emission measurements of
VOCs from panel type materials such as particle board which require a controlled surface air velocity, a
perforated ceiling with an array of 3x3 fans can be mounted inside the test chamber. Using this ceiling
the surface air velocity can be controlled from 0.1 to 0.3 + 0.1 m/s. The whole installation is compliant
with EN ISO 9001:2000 certification.
Figure 2.2: Indoortron photo

Report
Page 26 of 65
2.1.1.2
Fluid flows, dispersion of chemicals and indoor chemistry
The configuration of the internal space of the INDOORTRON facility may vary significantly depending on the experimental layout and the type of the experiment. Simplified layouts can be modeled
using analytical models. However, for more complex situations, analytical models fail to grasp the flow
dynamics of the facility. At this point CFD models are entering the stage in order to assess the internal
fluid flow. Although this is most probably the most simplified analysis that can take place for IAQ issues,
it is essential to have a clear view of the internal flow and its dynamics. Depending for example on the
inlet air velocity (which depends also on the air exchange rate) the Reynolds number is evaluated and
obviously different flow regimes are obtained. For low Reynolds number the flow can be considered
laminar and it is much simpler to be simulated. The transition to turbulent flow occurs at higher Reynolds
numbers. Practically all flows in internal environments are turbulent. Turbulence gives rise to several
phenomena like heat exchange which obviously are far from the reach of analytical models.
The simulation of the fluid flow using CFD is important for several reasons. First of all it is possible
to monitor the efficiency of the ventilation mechanisms in terms of air-exchange rate with respect to the
energy that is spent for this ventilation. A misplaced ventilation opening or an opening with wrong
geometry deteriorates the efficiency of the ventilation system. From the IAQ point of view it is possible
to visualize the efficiency of the system to flush the whole internal environment. In complicated internal
geometries with walls and fixed objects it is very much possible to identify spots where the ventilation is
insufficient. Furthermore it is possible to identify eventual stratification that may occur from temperature
changes. For heating systems that are based on displacement ventilation mechanisms this parameter is
important.
The importance of the evaluating the correct fluid flow in indoor environments has been clearly
demonstrated during the testing that took place in CAT unit in order to evaluate the influence of exhaled
formaldehyde on IAQ. During this experiment, apart form the formaldehyde concentration level, the relative humidity, temperature and CO2 levels were being registered as well. Air velocity measurements have
taken place, in order to establish the air exchange rate of the room. Obviously, formaldehyde concentration measurements have been performed at predefined positions and are considered to be representative of
the conditions that exist in the indoor environment. The quality of the experiment execution is reassured
by following the Working Operation Procedures WOP CPS 008 and WOP CPS1 of the CAT unit.
The use of CFD tools for the preparation of such an experiment could have led to the substantial
improvement of the whole procedure (CFX was not available at CAT unit at the moment that the experiment took place). A first preliminary analysis of the fluid flow in the room could have indicated points of
interest to perform the necessary measurements based on the available data for air exchange rate or even
for various air exchange rates. Additionally, various configurations of the internal space can be examined
to evaluate their influence in the fluid flow that obviously alternates the concentration of the substance of
interest.
Among the conclusions of the experiment has been that part of the formaldehyde concentration can
be attributed to the reaction of ozone with terpenes. Ozone is usually penetrating indoor environments
from outdoors, while terpenes are emitted from indoor sources like cleaning products. The concentration
Report
Page 27 of 65
of the ozone outdoors can be extracted from the data of fixed monitoring station (ARPA-Lombardia)
or from other reliable sources. A simple CFD flow analysis for certain air exchange rates can provide
immediately the level of ozone indoors for steady state conditions 1 with high accuracy. Thus even though
it was not measured during the experiment, its concentration indoor could have been known.
The reactivity between ozone and terpenes could have been also modeled using CFD and thus
provide information about the contribution of this reaction on the level of formaldehyde concentration. It
is very important to mention at this point that the fluid flow simulation including ozone concentration and
considering the reactivity with terpenes together with the exhaled amount of formaldehyde from room
occupants (using data from literature) can take place simultaneously. Furthermore, CFD could have
been used also to perform inverse engineering. From various analyses with different values of exhaled
formaldehyde per person it could have been possible to find the right value of exhaled formaldehyde
per person in order to match the concentration that has been measured. Such an experimental procedure
would require substantial time resources, while the repeatability of the conditions in general is difficult
to be reassured.
In any case the capabilities of CFD models for flow simulation are literally endless and thus quasi
any problem that requires some kind of fluid flow is within the reach of CFD models. The only drawback
is that in several cases the parameters that have to be defined for correct simulation require significant
knowledge and experience from the part of the modeler.
2.1.1.3
Modeling of sources
Among the activities of CAT unit is the study of the emission rate of materials in indoor environments. There is a large variety of sources in indoor environments. Carpets, furniture, every day activities,
sprays etc. all contribute to the release of chemical substances. The transport of these substances usually
follows the pattern of the fluid flow especially for low concentrations. The main issue that has to be
tackled in these cases is the contaminants removal efficiency of the ventilation system. For these cases
the analysis is very similar to the one presented in the previous paragraph.
A far more complex but useful approach that can take place is the modeling of the mechanism that
is responsible for the emission of pollutants from materials at local scale. It will be thus possible to better
understand how the different conditions (temperature, humidity, pollutants concentrations) are affecting
the emission rate based on the mechanisms that are taken place at local level and more specifically at
the material-air interface. This issue has not been studied thoroughly in literature and it requires a lot of
support from experimental data. In any case it can be a good example for the application of CFD tools in
order to perform fundamental research.
1
In fact steady state conditions are almost always the case for such environments where the ventilation system operates
without any interruption

Report
Page 28 of 65
2.1.1.4
Particles and IAQ
A challenging problem for indoor air quality is the one of the fate of particles. The number of phenomena involved are numerous and are related to their transportation, deposition, resuspension, settling,
aggregation etc. Analytical models are in fact incapable of grasping these phenomena for real world
applications. They can be only used for simplified applications and for very specific conditions.
One of the parameters that heavily distinguish the dispersion of chemicals with respect to the fate of
particles is the dependence of the particles on the flow conditions, more than in the case of chemicals. This
renders even more difficult any effort for performing measurements in indoor environments for particles
since spatial distributions may vary significantly. The local fluid flow can alternate substantially the
deposition of the particles (for example in the room floor) and thus measurements cannot be representative
unless they are repeated in numerous positions, which in many cases is not feasible. It is more interesting
in this case to perform the analysis with the CFD model, identify the point of interest and then proceed
with the necessary measurements in the real environment. Among others one can identify an additional
difficulty that is related to the aggregation of particles that depends on the fluid flow conditions and more
specifically on the existence of turbulence.
A case study of particular interest that is related to indoor air quality issues and it can clearly
demonstrate the necessity for using CFD tools is the use of a spray product in indoor environment.
Household products that exist in the form of sprays are numerous and analytical models consider their
dispersion using simplified analytical models. These models do not take into account several parameters,
for example the local flow field, and they consider an equal distribution in the room. In reality this is
not the case. A relatively large quantity of droplets are falling into the ground and only a part is then
evaporated and contributes to the concentration in the room. In fact the result in the indoor environment
is similar to the action of two sources: A point release source and a spill source that act at different
time scales. Modelling of spray products is within the research interests of CAT unit. This is even more
pronounced with the inclusion of a spray model in GExFRAME. A comparison between the results of
the two methods (analytical model vs CFD model) could provide valuable insight on the validity of these
models.
2.1.1.5
Photocatalysis and CFD
CAT Unit has been involved in the evaluation of photocatalytic materials for air purification purposes. These materials are usually based on TiO2 films applied on a glass, concrete etc. substrate. They
are activated through UV or visible light and facilitate the catalytic degradation of air pollutants like
NOx . Full scale tests have been performed on these materials in INDOORTRON using a light source
that approaches the sun-light spectrum. Apart from the INDOORTRON tests, small scale tests have been
performed in a small chamber. Adsorption phenomena that occur during the photocatalysis have been
identified.
Analytical models are valid for certain light, airflow, temperature etc. conditions. They are based
on a second order differential equation of the concentration of pollutant in the chamber and thus they
Report
Page 29 of 65
cannot take into account concentration gradients in the chamber, airflow patterns, turbulence, etc. since
they consider an homogenous space with homogeneous lighting conditions. Thus for each experimental
setup and obtained measurements set, a different photocatalytic rate is derived.
Obviously CFD models cannot be used to obtain the photocalytic reaction rate of each material.
However, they can be used to test different conditions concerning light, temperature, fluid flow and thus
extract curves of the material activity with respect to these conditions. This could significantly reduce
the number of experiments that are required in order to investigate the performance of these materials
under different conditions. Having data of this nature is important for the applicability of these materials
into real world applications as well as to increase our know how on their performance for future research
activities.
2.1.2
HVAC design and CFD
Chemical Assessment and Testing unit is actively participating in CLEAR-UP, a research project
that aims to deal with IAQ problems from different perspectives. CAT Unit is involved in the photocatalysis part. Part of project is dedicated to the integration of IAQ issues with energy efficiency. Obviously
a very powerful ventilation system is capable of preserving an acceptable level of indoor air quality at
the expense of increased energy consumption due to the air exchange rate with the external environment.
CFD tools can be used to obtain an optimisation between the energy consumption and IAQ. A detailed
study of this nature has been performed in California US, for the schools of the state. Several reports [?]
have been presented that showed clearly the complexity of the task of improving the indoor air quality
respecting energy requirements and CFD is most probably the only available tool that can help in order
to perform this multidisciplinary task.
2.1.3
Future research activities in the domain of IAQ modelling with CFD
As a first step towards the integration of CFD tools in the modelling capabilities of Chemical
Assessment and Testing Unit, the following activities have been foreseen.
Simulation of fluid flow in INDOORTRON
Simulation of air flow for various air-exchange rates and under the action of the ventilation
system
Two-phase flow to include dispersion of chemical substances
Transient analysis for particles dispersion
Simulation of the photocatalysis experiments in INDOORTRON
Modelling of the photocatalytic reaction
Sensitivity analysis for light conditions
Report
Page 30 of 65
The CFD tool that has been chosen is ANSYS-CFX. It is an umbrella of tools that includes the Design Modeler where the geometrical model of the structure is taking place, the CFX-Mesher that in facts
performs the discretization of the structure into finite volumes, the CFX-Pre which is the preprocessor
where all boundary conditions, loads etc. are defined before the solution and then the CFX-Solver which
performs the numerical solution. The results are then depicted in CFX-Post which is a Post-Processor and
where the treatment of the numerical results takes place. The whole system is installed, it is functional
and preliminary studies have been performed.

Report
Page 31 of 65
Chapter 3
CFD analysis of the INDOORTRON facility
for the ETS case study
3.1
Introduction
In this chapter the analysis of the INDOORTRON Environment using CFX is presented. All steps
from the building of the model until the post-processing of the results are clearly depicted. The case study
that is selected in order to be simulated is the one of the Environmental Tobacco Smoke. A series of tests
have taken place back in 2004 at various air exchange rates in order to investigate the effectiveness of
ventilation systems in internal environments to remove the harmful components of tobacco smoke. These
experiments are simulated in the present report performing a CFD analysis of the INDOORTRON.
3.2
Geometrical model development
The geometrical model of the indoorton has been elaborated without the inclusion of internal objects. It is in fact a box of 342.5 m with two openings for the air inlet and one opening for air outlet.
The geometrical model has been elaborated using the extrude command of the DesignModeler enabling
the imprint faces option. The fans on the roof have been modeled using the momentum source option
which will be further explained. In order to model this momentum source it is necessary to create a
domain of fluid elements on which this option will be applied. The fans in the INDOORTRON are surrounded by metal plates with rectangular cross section holes that in fact redistribute the air from the fans.
This has been modeled as a box on the roof of the INDOORTRON with the exact dimensions of the real
structure that surrounds the fans. In order to model this part of the INDOORTRON, a series of airspeed
measurements with a hot-wire apparatus have taken place. The geometrical model is shown in figure 3.1.

Report
Page 32 of 65
Outlet
Fan Instalation
Inlet
Figure 3.1: INDOORTRON geometrical model in CFX
3.3
Discretization
The preparation of the geometrical model for the CFD analysis is taking place using the CFX-Mesh
module. During this stage the geometrical model is divided in smaller regions called finite volumes that
are used for the simulation. One of the most important parameters for the simulation of airflow in enclosed
environments is the size of the discretized elements close to the walls. This is dictated in many cases by
empirical rules and it is indeed very difficult to provide a rule that is applicable in all cases. The size of
the elements close to the walls depends on the Reynolds number of the flow, which is a characteristic of
the flow as well as on the type of model that is used for the assessment of turbulence. In the present work,
the SST model (Shear Stress Transport) has been used since it is considered as the most appropriate for
the simulation of airflow of indoor environments restricted at low Reynolds numbers.
Using the inflation function of CFX-Mesh it is possible to change the size of the elements close to
the wall and create layers of thin elements that are adequate to model the boundary layer that is developed
at these areas. The value of the y+ defines whether the mesh is adequate or should be further refined. The
y+ value that has been obtained for the last refinement was less than 1 which is an acceptable value for
the mesh quality.
In Table 3.1 the details of the meshed model are shown.

Report
Page 33 of 65
Figure 3.2: Surface mesh of the INDOORTRON structure

Table 3.1: Properties of the meshed model
Mesh Statistics
Total Number of Nodes
Total Number of Tetrahedra
Total Number of Pyramids
Total Number of Prisms
Total Number of Elements
3.4
3.4.1
65136
65410
2531
102807
170748
Boundary conditions
Inlet Boundary conditions
In order to proceed with the simulation it is necessary to establish the boundary conditions of the
problem. These refer to inlet and outlet of air, to the wall conditions and to the momentum source that
simulates the existence of the fan system. The inlet boundary conditions can be established using various
formulations like definition of fluid speed entering the domain, defining a total static pressure etc. In this
case the total mass flow rate has been defined since the air exchange rate of the simulation is already
known.
3.4.2
Outlet Boundary conditions
The outlet boundary conditions can be specified using the same options as in the inlet boundary
conditions case. However, it is safer to define it as opening boundary condition meaning that it is not
predefined whether fluid is entering or leaving the domain. Based on the calculation that is taking place
it is in fact automatically defined whether fluid is entering or leaving the domain. In the present analysis
Report
Page 34 of 65
it should leave the domain, thus it can give an additional argument for the validity of the solution.
3.4.3
Wall boundary conditions
The wall boundary conditions are set to No Slip. This is translated to zero velocity of the fluid at
the contact with the wall. It is the most typical wall boundary condition used for such problems.
3.4.4
Fan system modelling
The fan system is represented using a momentum source that is added to the conservation of momentum equation. In order to model as correctly as possible the existence of the fan system, a series of
air speed measurements have been performed. These measurements at various points of the fan system
was used in order to find a mean air speed value that could average the different measurements at the
various points of this area of the INDOORTRON. As a result, it has been possible to provide a value for
the momentum that is provided to the volume of the air that is passing through the fan system. This has
been calculated to be 12.815 mkg
2 s2 (direction towards floor).
3.5
Additional variables
In order to model the existence of the smoke in the INDOORTRON, an additional variable is added.
The additional variable method is used in order to simulate the transport of a passive material into the
flow without influencing the flow itself. It is ideal in order to model transport of smoke in the air. The
parameters that have to be introduced are the mass flow rate and the coordinates of the position of the
source in the room.
3.6
SST Turbulence model
The modeling of turbulence requires additional information. Depending on the type of variables
that are added, different turbulence models are developed. For problems in enclosed environments, it is
particularly difficult to chose the right turbulence model. The coexistence of flow areas close and away
from the walls is the main reason for which the choice of a turbulence model is not evident. Different
models are used for problems with free flow (e.g. open environments) and close to a rigid boundary.
In order to overcome this problem a hybrid turbulence model has been elaborated by Menter back in
1994. The SST k model combines the stability and proven performance of the k- far from the
walls and the k- close to the walls. It belongs in the category of Reynolds Averaged Navier-Stokes
models (RANS) and in the subcategory of two-equation turbulence models due to the existence of two
Report
Page 35 of 65
additional transport equations for the description of the turbulence namely the turbulent kinetic energy
k and the specific dissipation rate . The k- formulation is particularly adapted to model the viscous
sub-layer close to the wall and thus it is applicable as a Low-Re model without any further addition of
extra equations. The transition to k- model is taking place away from the walls thus prohibiting known
implications of the k- model in the free stream([35]).
In the following equations the SST k- model is presented, starting from the Kinematic Eddy
Viscosity, then proceeding to the Turbulence Kinetic Energy, then defining the specific dissipation rate
and finally adding the closure coefficients and auxiliary relations.
Kinematic Eddy Viscosity
T =
1 k
max(1 , SF2 )
(3.1)
Turbulence Kinetic Energy

k
k
k
= Pk k +
+ Uj
( + k T )
t
xj
xj
xj
(3.2)
Specific Dissipation Rate

1 k
2
2
+ Uj
= S +
( + T )
+ 2(1 F1 )2
t
xj
xj
xj
xi xi
(3.3)
Closure Coefficients
!#2
2 k 500
= tanh max
,
y y 2

Uj
= min ij
, 10 k
xj
(
"
!
#)4
k 500
42 k
= tanh
min max
,
,
y y 2
CDk y 2

1 k
10
= max 22
, 10
xi xi
= 1 + 2 (1 F1 )
5
= , 2 = 0.44
9
3
= , 2 = 0.0828
40
9
=
100
= 0.85, k2 = 1
= 0.5, 2 = 0.856
"
F2
Pk
F1
CDk
1
1
k1
1

Report
(3.4)
(3.5)
(3.6)
(3.7)
(3.8)
(3.9)
(3.10)
(3.11)
(3.12)
(3.13)
Page 36 of 65
In general one can clearly see that the addition of the kinetic energy and dissipation rate equations
has added the necessity to add some closure coefficients, since the number of equations is less than the
number of unknowns in the system. In general the SST model is not widely used for the simulation of
indoor environments ([36]) although it seems to be ideal for such applications.
3.7
Boundary Layer and Turbulence
Turbulent modelling requires special attention at the vicinity of walls and in general in boundaries.
It is very important to model properly the areas close to the walls in terms of finite volumes (or elements)
dimensions. The characteristics of this area of fluid dynamics are presented in the book of Pepper and
Carrington [37]. Without going to much into the details of the corresponding physics it is worth mentioning some basic characteristics. The turbulent boundary layer can be divided into a defect region and an
inner region. An important parameter for the CFD analysis of enclosed environments implementing the
SST model is the Y+ values. The importance of the Y+ value is related with the fact that the mesh size
depends on this value. This value specifies the size of the first element in the boundary layer close to a
wall. In order to calculate the thickness of the first layer of the elements close to the wall it is necessary to
define as well the Reynolds Number (Re) of the problem, and the corresponding Reference Length (L).
The first layer thickness is thus provided by the following equation:
y = Ly + 80Re13/14
(3.14)
The unknown parameter is the Reference Length L of the turbulence. This parameter should not be
larger than the physical dimensions of the problem (e.g. Length of INDOORTRON) and it requires many
analyses as well as experience to define the correct Reference Length that can equilibrate the requirement
between correct modelling of the turbulence and reasonable computational time. A very small reference
length could obviously capture very well the turbulence however, at the cost of the excessive computational time due to the very small size of the grid elements. In general a Reference Length of 2 meters
(thus a little less with respect to the height of the room) could be a reasonable number for this analysis.
The establishment of the right thickness for the first element in the boundary layer cannot take
place in a straight forward way. The analysis of the flow depends on the size of the elements used and
thus it is obvious that the Reynolds number and the Y+ values are influenced. For this reason a trial
error procedure is taking place in order to establish the right dimensions for the elements away from the
boundaries and obviously for the elements close to these.
3.8
Establishment of the steady state flow
The establishment of the steady state flow is indispensable for the type of analysis that will follow.
The air exchange rate that is used has to be consistent with the subsequent transient analysis. The main
Report
Page 37 of 65
outcome of this analysis in terms of visualization is the streamline representation that provides the track
of a particle that is entering from the inlet and moves throughout the room. It is possible to obtain these
streamlines for various number of particles and thus create more or less detailed images of the flow in
the internal environment. It is also possible to have track of the inverse movement of particles from the
outlet to the inlet. In Figure 3.3 the streamlines of the flow are presented for AER of 0.2.
Figure 3.3: Streamlines of the steady state flow for AER 0.2
3.9
Transient analysis of CO distribution for various air exchange

rates
In order to simulate the evolvement of the concentration of CO or any other substance in INDOORTRON it is necessary to perform a transient analysis. The transient analysis requires to identify
the number of time substeps in which the analysis duration has to be divided. This has direct impact to
the accuracy of the solution and to the computational time. It is obvious that the the higher the number
of the substeps the longer the analysis but at the same time the better is the accuracy of the results. The
simulation of the CO concentration in the INDOORTRON environment has taken place for various air
exchange rates namely, 0.2, 0.5 and 1. For these air exchange rates, the corresponding experimental data
are available and thus they can be used for validating the present model. The transient analysis is divided
in two parts. The first is the one that is covering the period with the source emitting pollutants, while
the second period is simulating the period during which the source has ceased emitting and only the air
exchange rate is defining the pollutants concentration in the room. The first period has a duration of 35
minutes while the second is about 60 min. This is clearly depicted in the work of Kotzias et al. [38].

Report
Page 38 of 65
3.10
Postprocessing and comparison with experimental results
The postprocessing of the results is based on two different approaches. One is based on 3D graphical representation of CO concentration through the use of isosurfaces. This is used in order to demonstrate
the spatial distribution of the pollutant of interest in a concise and understandable way. These cannot be
verified due to the lack of corresponding experimental data. Such experimental data would require a huge
number of concentration measurements. The second approach is based on the plotting of a parameter at a
specific point with respect to time. In the experimental procedure it is assumed that the domain is homogeneous and thus one measurement at a representative point is enough. The CFD analysis is thus usefull
for the confirmation of the homogeneity of the environment. In the following figures, the concentration
level of CO in terms of isosurfaces is presented for AER 0.5.
It is clear that the fluid domain is homogeneous in terms of CO concentration. The vast majority
of the fluid domain inside INDOORTRON has CO concentration that vary from 9 to 9.6 mg/m3 with the
maximum value present very close to the point where the source exists (center of box with coordinates
(x,y,z)=(1.5m, 2.0m, 1.25m). Obviously at this point the concentration will be always slightly higher as
long as the source is emitting pollutants. It is clear that in the last series of Figures 3.6 the concentration
levels are dominated by the existence of the source. The fact that this concentration is not much higher
with respect to the concentration in the rest of the room is also a proof of the homogeneity of the volume
in the INDOORTRON due to the existence of the fan system.
The second part of the transient analysis has taken place with the same flow conditions in terms of
air exchange rate and air circulation from the fan system. The duration of this analysis has been set to
100 min with time steps of 1 min. Obviously the concentration of the CO is reducing over time. Using
the isosurfaces visualization method it is possible to visualize the evolvement of the concentration. This
is depicted for a concentration of 8.5 mg/m3 (7.259 ppm) in Figures 3.7. What can be visualized in these
series of figures is that initially the number of areas with concentration at 7.259 ppm is quite important. As
the time passes, the concentration inside the room is reducing and thus more and more areas are reaching
this level of concentration (remember that in the first part of the analysis with the source emitting CO,
the main part of the room volume had concentration level above 7.686 ppm). However, as this trend
continues at a certain point the main part of the volume reaches a lower concentration level and this is
clearly depicted in Figure 3.7f.
The difference between the experimental results and the CFD model is limited and it can be attributed into a number of parameters. Obviously the coordinates of the point where the measurements
are taken is important since slight differences in concentration will always be present. It is very important also to mention that the concentration presented in the previous graphs is calculated at the centre of
the room where the source was put as well. This also explains the steep reduction of the concentration
of CO right after the moment that no smoke is emitted in the room. Obviously in a different position
these results would be different. As a proof the graph of the CO concentration at point with coordinates
(x=1.5m, y=2m, z=2m) In any case, the agreement is such that permits to consider CFD as a reliable tool
for prediction of pollutants dispersion in enclosed environments.
The plot of the CO concentration for various air exchange rates demonstrates clearly that the space
Report
Page 39 of 65
(a)
(b)
(c)
(d)
(e)
(f)
Figure 3.4: Isorfaces of CO concentration(a) 1 mg/m3 (0.854 ppm) (b) 2 mg/m3 (1.708 ppm) (c) 3
mg/m3 (2.562 ppm) (d) 4 mg/m3 (3.416 ppm) (e) 5 mg/m3 (4.270 ppm) (f) 6 mg/m3 (5.124 ppm)

Report
Page 40 of 65
(a)
(b)
(c)
(d)
(e)
(f)
Figure 3.5: Isosurfaces of CO concentration (a) 7 mg/m3 (5.978 ppm) (b) 8 mg/m3 (6.832 ppm) (c)
9 mg/m3 (7.686 ppm) (d) 9.1 mg/m3 (7.771 ppm) (e) 9.15 mg/m3 (7.814 ppm) (f) 9.2 mg/m3 (7.857
ppm)
Report
Page 41 of 65
(a)
(b)
(c)
(d)
Figure 3.6: Isosurfaces of CO concentration (a) 9.3 mg/m3 (7.942 ppm) (b) 9.4 mg/m3 (8.028 ppm) (c)
9.5 mg/m3 (8.113 ppm) (d) 9.6 mg/m3 (8.198 ppm)

Report
Page 42 of 65
(a)
(b)
(c)
(d)
(e)
(f)
Figure 3.7: Isosurfaces of 7.259ppm CO concentration at (a) t=0 min, (b) t=1 min, (c) t=2 min, (d) t=3
min, (e) t=4 min, (f) t=5 min after the removal of the source

Report
Page 43 of 65
Experimental Concentration (AER 0.2)

CFD (AER 1.0)

CFD (AER 0.5)
CFD (AER 0.2)
10.0
CO Concentration (ppm)
10.0
8.0
6.0
4.0
2.0
8.0
6.0
4.0
2.0
0.0
0.0
0
20
40
60
80
20
40
Time (min)
60
80
Time (min)
(a)
(b)
Figure 3.8: Evolution of CO concentration over time (a)Experimental values, (b) CFD calculated
CFD (AER 0.2)

CFD (AER 0.5)
CFD (AER 1.0)
10.0
8.0
6.0
4.0
2.0
0.0
0
20
40
60
80
Time (min)
Figure 3.9: CO concentration at point x=2m, y=2m, z=2m calculated using CFD
inside INDOORTRON is homogeneous. One can see that the difference in the concentration between the
this point and the centre of the room is very small, with the major difference being the steep drop of the
concentration that is visible in the centre of the room plots.

Report
Page 44 of 65

Report
Page 45 of 65
Bibliography
[1] Zhiqiang Zhai, Zhao Zhang, Wei Zhang, Qingyan Chen, Evaluation of various turbulence models in
predicting airflow and turbulence in enclosed environments by CFD: Part 1 - Summary of prevalent
turbulence models, HVAC&R Research, vol. 13, no 6, 853-870
[2] Chen Q., W. Xu, A zero-equation turbulence model for indoor airflow simulation, Energy and Buildings 28 (2), 138-144, 1998
[3] Zhishi Guo, Development of a windows based indoor air quality simulation software package, Environmental Modeling and Software, vol. 15, pp. 403-410
[4] G. Giannopoulos, A. Arvanitis, S. Kephalopoulos, D, Kotzias, Assessing IAQ with GExFRAME:
Case study demonstration of the new EU tool on exposure assessment, Healthy Buildings 2009,
11-16 September, Syracuse New York.
[5] P.V. Nielsen Computational fluid dynamics and room air movement, Indoor Air, vol. 14, no 7
pp.134-143
[6] CEC-Commission of the European Communities, prENV 13419-2, Building products - determination of the emission of volatile organic compounds - Part 2: emission test cell method, European
Committee for Standardization, Brussels, 1998.
[7] E. Uhde, A. Borgschulte and T. Salthammer, Characterization of the field and laboratory emission
cell - FLEC: Flow field and air velocities, Atmospheric Environment vol. 32, no. 4pp. 773-781,
1998
[8] L. Z. Zhang, J. L. Niu, Laminar fluid flow and mass transfer in a standard field and laboratory
emission cell International Journal of Heat and Mass Transfer 46 pp. 91-100, 2003
[9] Q. Zhu, S. Kato, S. Murakami, K. Ito, 3D-CFD analysis of diffusion and emission of VOCs in a
FLEC cavity, Indoor Air 17 pp. 178-188, 2007
[10] Baoqing Deng, Chang Nyung Kim, A new CFD model for VOC emission based on the general
adsorption isotherm, JSME International Journal, Series B, vol. 47, no. 2, pp. 396-402, 2004
[11] S. Murakami, S. Kato, K. Ito, Q. Zhu, Modeling and CFD prediction for diffusion and adsorption
within room with various adsorption isotherms, Indoor Air, vol. 13, pp. 20-27, 2003
Report
Page 46 of 65
[12] X. Yang, Q. Chen, J.S. Zhang, R. Magee, J. Zeng, C.Y. Shaw, Numerical simulation of VOC emissions from dry materials, Building and Environment vol. 36, pp. 1099-1107, 2001
[13] Fangting Song, Bin Zhao, Xudong Yang, Yi Jiang, Vipin Gopal, Gregory Dobbs, Michael Sahm, A
new approach on zonal modeling of indoor environment with mechanical ventilation, Building and
Environment, vol. 73, pp. 137-145, 2008
[14] Liangzhu Wang, Qingyan Chen, Evaluation of some assumptions used in multizone airflow network
models, Building Environment, vol. 43, pp. 1671-1677
[15] Jelena Srebric, Vladimir Vukovic, Guoqing He, Xudong Yang, CFD boundary conditions for contaminant dispersion, heat transfer and airflow simulations around human occupants in indoor environments, Building and Environment 43 pp. 294 - 303, 2008
[16] S. Murakami, Analysis and design of micro-climate around the human body with respiration by
CFD, Indoor Air, vol. 14, pp. 144-156, 2004
[17] D. Hryb, M. Cardozo, S. Ferro, M. Goldschmit, Particle transport in turbulent flow using both
Langrangian and Eulerian formulations, Internal Communications in Heat and Mass Transfer, 2009
[18] Z. Zhang, Q. Chen, Experimental measurements and numerical simulations of particle transport
and distribution in ventilated rooms, Atmospheric Environment, 40, pp. 3396-3408, 2006
[19] A. Dehbi, A CFD model for particle dispersion in turbulent boundary layer flows, Nuclear Engineering and Design, 238, pp. 707-715, 2008
[20] Z. Zhang, Q. Chen, Comparison of the Eulerian and Lagrangian methods for predicting particle
transport in enclosed spaces, Atmospheric Environment, vol. 41 pp. 5236-5248, 2007
[21] Bin Zhao, Caiqing Yang, Xudong Yang, Shuangke Liu, Particle dispersion and deposition in ventilated rooms: Testing and evaluation of different Eulerian and Lagrangian models, Building and
Environment 43, pp. 388-397, 2008
[22] X. Liu, Z. Zhai Inverse modeling methods for indoor airborne pollutant tracking: Iiterature review
and fundamentals, Indoor Air, vol. 17, pp. 419-438, 2007
[23] Bin Zhao, Ping Guan, Modeling particle dispersion in personalized ventilated room, Building and
Environment, vol. 42, pp. 1099-1109, 2007
[24] T. F. Zhang, Q. Chen, Identification of contaminant sources in enclosed environments by inverse
CFD modeling, Indoor Air, vol. 17, pp. 167-177, 2007
[25] Liang Zhou, Fariborz Haghighat, Optimization of ventilation system design and operation in office
environment, Part I: Methodology, Building and Environment 44, pp. 651-656, 2009
[26] Liang Zhou, Fariborz Haghighat, Optimization of ventilation system design and operation in office
environment, Part II: Results and Discussion, Building and Environment 44, pp. 657-665, 2009
Report
Page 47 of 65
[27] Baoqing Deng, Chang Nyung Kim, Fan Zhang, Numerical simulation of VOCs distribution in a
room with a new carpet, Heat Mass Transfer vol. 43, pp. 975-983, 2007
[28] Ignasi Salvado-Estivill, David M. Hargreaves, Gianluca Li Puma, Evaluation of the intrinsic photocatalytic oxidation kinetics of indoor air pollutants, vol. 41, pp. 2028-2035, 2007
[29] Madjid Mohseni, Fariborz Taghipour, Experimental and CFD analysis of photocatalytic gas phase
vinyl chloride (VC) oxidation, Chemical Engineering Science, vol. 59, pp. 1601-1609, 2004
[30] Jinhan Mo, Yinping Zhang, Qiujian Xu, Jennifer Joaquin Lamson, Rongyi Zhao, Photocatalytic
purification of volatile organic compounds in indoor air: A literature review, Atmospheric Environment vol. 43, pp. 2229-2246, 2009
[31] , S.T. Jayaraju, M. Brouns, C. Lacor, B. Belkassem, S. Verbanck, Large eddy and detached eddy
simulations of fluid flow and particle deposition in a human mouth-throat, Aerosol Science, vol. 39,
pp. 862-875, 2008
[32] Zhe Zhang, Clement Kleinstreuer, Chong S.Kim, Comparison of analytical and CFD models with
regard to micron particle deposition in a human 16-generation tracheobronchial airway model,
Aerosol Science, vol. 40, pp. 16-28, 2009
[33] Xiang Liu, Zhiqiang Zhai, Identification of appropriate CFD models for simulating aerosol particle
and droplet indoor transport, Indoor Built Environment, vol. 16, no. 4, pp. 322-330, 2007
[34] G. Giannopoulos Computational Fluid Dynamics for Indoor Air Quality Assessment, JRC Technical
Notes, PUBSY Nr. xxxxx, 2009
[35] CFD online
[36] A. Stamou, I. Katsiris Verification of a CFD model for indoor airflow and heat transfer, Building
and Environment 41 (2006), pp. 1171-1181, 2006
[37] Darrell W. Pepper, David Carrington, Modelling Indoor Air Pollution, Imperial College Press, 2009
[38] Dimitrios Kotzias, Otmar Geiss, Paolo Leva, Arturo Bellintani, Athanasios Arvanitis, Stylianos
Kephalopoulos, Impact of various air exchange rates on the levels of environmental tobacco smoke
(ETS) components, Fresenius Environmental Bulletin, vol. 13, no 12b, pp. 1536-1549, 2004

Report
Page 48 of 65

Report
Page 49 of 65
Appendix A
Theoretical Elements of CFD Modelling
A.1
Introduction
Computational Fluid Dynamics (CFD) is a group of analysis techniques that are used for the description and simulation of fluid dynamics phenomena. CFD lately have seen an enormous development
which has been enabled by the advance of computer performance as well as by the development of new
algorithms. The necessity for more CFD results has been dictated by the need for more accurate performance forecast in various scientific disciplines like engineering, physics, chemistry etc.
Basically CFD describes the group of numerical techniques for the solution of the partial differential
equations that describe the motion of viscous fluids. These equations have analytical solutions only for
certain boundary conditions and for the vast majority of cases numerical solutions are required. However,
in order to better understand the context of CFD it is advisable to describe in detail the mathematical
context in which we have to perform for the description of fluid motion.
A.2
Continuum Hypothesis
The movement of fluids is described by conservation laws of physics, namely conservation of mass,
momentum and energy. The partial differential equations that describe these phenomena are derived and
in several cases can be solved analytically, however, this is exceptional and can only occur for certain
boundary conditions. The formulation of the differential equations is usually based on the Continuity
Hypothesis which implies that physical properties of the flow can be described using scalar or vector
Report
Page 50 of 65
fields over the R3 domain.

The satisfaction of the continuity hypothesis is almost always guaranteed in practical applications.
It is expressed by the Knudsen number which is defined as K = /L, where is the mean free path
and L the length scale of the flow phenomenon. The continuity hypothesis requires that K 1. The
fluid mean free path (average distance that a fluid particle is covering between two subsequent impacts)
depends upon the fluid and the temperature at which the phenomenon is studied.
A.3
Lagrangian and Eulerian formulation
The use of the proper coordinate system for the tracking of the fluid motion is of great importance
in computational fluid dynamics. Lagrangian formulation is also widely used in pure structural problems
solved by the finite element method. The Lagrangian formulation is based on the assumption that the
coordinate system is placed over a particle and follows its movement. More mathematically this can be
expressed by stating that the flow is explicitly described by specification of the properties of each physical
property as a function of time.
The other alternative for the description of the flow is the Eulerian formulation. In that case the
coordinate system is considered fixed at a certain point of the flow domain and thus it serves as observer of the flow particles. Again in more mathematical terms, the Eulerian formulation permits the
full description of the flow through the specification of the time history of the flow properties at every
fixed point of the domain. In terms of a more schematic representation, in Lagrangian formulation the
discretization grid of the flow domain is deforming with the fluid movement (producing several problems
that can be solved only with efficient remeshing algorithms) producing highly distorted elements that may
jeopardize the analysis accuracy. Eulerian formulation is inherently free from such problems, however, it
is time consuming as a method and does not permit particle tracking which could be of particular importance for several applications. However, the vast majority of cases are analyzed implementing Eulerian
CFD formulation.
A.4
Mach number and area of study
As it has been already stated, CFD is a vast discipline that includes a variety of fluid problems that
span over a huge area of fluid velocity. CFD principles can be used for the analysis of problems like
Report
Page 51 of 65
human respiration where the fluid velocity is very low and can be used as well for the hypersonic flight
envelope of the space shuttle entering the earths atmosphere. Obviously different mathematical models
are used in order to tackle these problems and the selection of these is based on the Mach number M
(M = u/us , where u is the flow speed and us is the speed of sound for a certain temperature and pressure)
that distinguishes the various flow regimes. Incompressible flow is considered for M1, subsonic flow
is considered when 0<M<1, transonic flow is for M'1, supersonic for M>1 and finally hypersonic flow
is when M1. In the present report applications are restricted to the domain of subsonic flow due to the
low velocities that exist in indoor environments and HVAC systems.
A.5
Navier-Stokes equations
A.5.1
General form
The motion of a viscous heat conducting fluid is described by the Navier-Stokes equations that
is in fact the Newtons Law of Motion for fluids and is called the momentum equation. The complete
description of the fluid element motion requires also the use of the mass conservation equation and the
energy equation. The complete set of equations that describes the problem is shown in equations A.1 to
A.10.

Report
Page 52 of 65
[uj ]
+
=0
t
xj
(ui ) [ui uj + P ij ji ]
+
= 0, i = 1, 2, 3
t
xj
(e0 ) [uj e0 + uj P + qj ui ij ]
+
=0
t
xj
(A.1)
(A.2)
(A.3)
ij = 2Sij
1 uk
1 ui uj
+
)
ij
Sij = (
2 xj
xi
3 xk
T
T
qj =
= Cp
xj
Pr xj
Cp
=
Cv
(A.4)
P = RT
(A.8)
e = Cv T
(A.9)
(A.5)
(A.6)
(A.7)
Cp Cv = R
uk uk
e0 = e +
2
(A.10)
(A.11)
where is the density, uj is the flow velocity component, e0 is the total energy, P is the pressure, qj the
cartesian component of the heat flow, ij is the viscous stress, the dynamic viscosity, Sij the deviatoric
strain-rate, P r the Prandtl number, Cp and Cv the heat capacity under constant pressure and volume
correspondingly, R the perfect gas constant and finally T is the temperature.
Equation A.1 is the mass conservation equation, equation A.2 the momentum conservation equation
(the so called Navier-Stokes equation), equation A.3 is the energy conservation equation, equations A.4,
A.5 provide the shear stress relationship, while equations A.7, A.8, A.9, A.10 refer to the perfect gas
formulation. Equation A.11 is the equation of total energy. The implementation of boundary conditions
on this set of equations is necessary in order to achieve a closed form solution.
Previously mentioned equations are written in their general form and several cases are obtained
through simplification of these equations. These are explained further on in the next paragraphs.

Report
Page 53 of 65
A.5.2
Incompressible flow
A simplified case of flow is the incompressible flow, where the density of the fluid is considered
to remain constant during its motion. For this case the Navier-Stokes equations are taking the following
form:
uj
=0
xj
ui 1 P
2 ui
ui
+ uj
+
= 2
t
xj xi
xj

2

e0
e0
ui
1
T
+ uj
= 2
+
k
t
xj
xj
xj
xj
(A.12)
(A.13)
(A.14)
where is the kinematic viscosity (dynamic viscosity over density ) and k is the coefficient of thermal
conductivity.
A.5.3
Inviscid Flow
Inviscid flow is a subcase of the Navier-Stokes equations neglecting the viscous terms. The equations that are derived are also called Euler equations. The Navier-Stokes for this flow are taking the
following form:
(uj )
+
=0
t
xj
ui (ui uj + P ij )
+
=0
t
xj
e0 (e0 + P )uj
+
=0
t
xj
P
1
e0 =
+ kuk2
1 2
P = RT

(A.15)
(A.16)
(A.17)
(A.18)
(A.19)
Report
Page 54 of 65
A.5.4
Turbulent flow
Turbulent flow is the state of the fluid that is characterized by a chaotic and random three dimensional vorticity. Turbulence gives rise to higher energy dissipation, mixing, heat transfer, chemical
reactivity and drag. In general the mathematical description of turbulence is a cumbersome procedure and
a number of models have been developed in order to tackle this issue. In general, turbulent flow occurs
with high Reynolds numbers (> 105 ). At this point it is very important to define some parameters about
turbulent flow. The terms Eddy and Scale are widely used in order to define turbulence. With the term
Eddy it is defined every swirling of the fluid and the reverse flow that is created when it passes past an
obstacle. The turbulence length scale is a physical quantity that characterizes the size of the large energy
containing eddies of the turbulent flow. These two parameters are widely used in turbulent flow models
as it will be shown later.
A review paper on turbulent models has been presented by Zhai et al. [1]. The simulation of turbulent flow can be effectuated through three different categories of models: Direct Numerical Simulation
(DNS), Large-Eddy Simulation (LES) and Reynolds-Averaged Navier-Stokes (RANS).
The DNS method is most probably the least adequate to be used for the simulation of Indoor Air
problems with turbulence. It is used to solve the whole range of Eddies from the smallest scale up to large
Eddies that contain most of the turbulent energy. Although it is the most accurate method, in fact is not
applicable due to the requirement of a very small grid. According to Zhai et al. [1] the number of points
N in the grid should be analogous to Re9/4 . Considering that turbulent flow occurs at Reynolds numbers
around 105 it is easy to understand that the minimum number of grid points that is required exceeds well
the 21011 . If we add on this the very small time step that is required then the simulation time is beyond
the scale of existing computers.
In order to overcome these problems the LES method has been developed. According to this theory,
turbulence is divided into large and small eddies with the separation such that the small eddies do not
have a significant influence into the large ones. In other words, the majority of the transport phenomena
occur through the large eddies and for the small eddies approximations can take place. The main idea
behind this approach is that the macroscopic characteristics are dominant for the turbulent low. Although
is more efficient in terms of computational time, it is still requires significant computational effort.
The category of RANS models is the one that is mostly used. It is based on the calculation of
mean values for the flow and additional models are used to superimpose the turbulent flow. It requires
significantly less computational time and also less experience from the user in order to obtain reliable
results. An example of such turbulent models is the k model. Although it has not been developed for
Report
Page 55 of 65
indoor environments it has been used as well for IAQ problems. RANS is divided into two subcategories
of models: The Eddy Viscosity Models (EVM) and the Reynolds Stress Models (RSM).
In the EVM subcategory the zero, one, two and multiple equation models are found. These are
explained in the following paragraphs.
Zero-equation Eddy-Viscocity Models
Within this category exist the various models that approach turbulence using a scalar variable for
the turbulence viscosity. In other words no other PDE (Partial Differential Equation) exists apart
from the mass, energy, momentum and species conservation. As it is stated by Zhai et al. [1] the
most popular zero-equation model for enclosed environments is presented by Chen et al. [2]. It
relates the turbulence viscosity with the local mean velocity and the distance from the nearest wall:
vf = 0.03874U L
(A.20)
where U is the local mean velocity and L is the distance from the nearest wall. The constant
of 0.03874 is an empirical one and it seems to work correctly for various indoor environment
flows. Its capability to be used for various internal flows has been the reason for including it into
commercial software (FLUENT).
One-equation Eddy-Viscosity Models
Obviously within this category one can find models of higher complexity with respect to zeroequation models. In fact one additional variable is used, usually the turbulence kinetic energy
which is calculated through a transport equation. An example of such model is presented in the
following equations:
vf = Ck 2 l
1
k = ui ui
2
(A.21)
where C is a constant and l is the turbulence length scale. This is the Prandtl one-equation model.
Other one-equation models are usually calculating directly the Eddy viscosity.
Two-equation Eddy-Viscosity Models

Report
Page 56 of 65
Two-equation models solve one additional partial differential equation to represent more accurately
the turbulence physics. An example of a two-equation model is the well known standard k- model
where the Eddy-viscosity takes the following form:
vf = C
k2

(A.22)
where C is an empirical constant, k is the turbulent kinetic energy and is the dissipation rate of
turbulence energy. However, even for these models the difficulty for the simulation of indoor environments is the same, which is the near wall area simulation. Various approaches have been used,
such as special wall functions, multi-layer turbulent models, low reynolds number turbulent models (LRN), renormalization group (RNG) models etc. Another important group of two-equation
models is the k- models, where in fact the parameter is the ratio of over k. A combination of
the k- and k- models led to the development of the shear stress transport (SST) model that in fact
can treat both near-wall regions and the areas far from the walls.
The second subcategory of RANS models is the RSM models (Reynolds Stress Models). The main
problem for the RSM is that they require additional equations to be solved.
Let us consider a incompressible flow (it is a valid assumption for IAQ problems) and recall the
corresponding Navier-Stokes equations in Cartesian coordinate system using tensorial notation and using
the instantaneous components of velocity, pressure and viscous stresses.

ui
p Tij
ui
+ uj
+
=
t
xj
xi
xj

uj
uj
+
+
=0
t
xj
xj

(A.23)
(A.24)
These are the well known equations that describe the laminar flow. It is possible however, to
introduce perturbations in order to achieve solution for turbulence. In order to achieve this we split the
flow into two parts, a mean component and a fluctuating one that using the principle of superposition
provide the total flow.

Report
Page 57 of 65
ui = Ui + ui
(A.25)
p = P + p
Tij = Tij + ij
(A.26)
(A.27)
where Ui , P , Tij represent the mean motion and ui , p, ij the fluctuating part. Equations A.25-A.27
constitute the so called Reynolds Decomposition technique. The next step is to perform the averaging of
the Navier-Stokes equations. We have to recall at this point that averaging of the fluctuating component
is identically zero, however, the average of the product of fluctuating components is not necessarily zero.
Performing the necessary calculations the following form is obtained for the Navier-Stokes equations.

Ui + ui
P
Tij
ui
(Ui + ui )
+ (Uj + uj )
=
+
huj
i
t
xj
xi
xj
xj
Uj
=0
xj
uj
=0
xj

(A.28)
(A.29)
(A.30)
Equation A.30 can be multiplied by ui and averaging it gives the following result:
huj
ui
i=0
xj
(A.31)
Adding this quantity (which equals to zero) into the last term of equation A.28 provides the following equation:
huj
ui
ui
uj
i + 0 = huj
i + hui
i=
hui uj i
xj
xj
xj
xj
(A.32)
Finally the momentum conservation equation takes the following form:

Report
Page 58 of 65

Ui
P
Ui
+ Uj
=
+
[Tij hui uj i]
t
xj
xi xj

(A.33)
The last term on the right hand of the equation A.33 is called Reynold Stress. However, it is
not stress but the contribution of the fluctuating part of the flow to the non-linear acceleration terms.
Obviously this is the term that gives rise to turbulence. The main problem of this term with respect to
other characteristics of fluid flow is that it is flow depended and not fluid depended.
The aim here has been to introduce the reader to the basic characteristics of the turbulent fluid
flow and present the reason for its extreme complexity that justifies the number of models that have
been developed. There is a lot of material in the literature that explains much in detail the turbulence
phenomenon but it exceeds the scope of the present analysis. For this reason in Table A.1 the main models
that have been developed for turbulence are presented as they have been categorized and presented by
Zhai et al. [1].
Table A.1: List of turbulence models for indoor environments (From [1]).
Model Classification
Zero equation
EVM
Two-equation
RANS
Multiple-equation
RSM
LES
DES
Primary Turbulence Models Used

In Indoor Air Simulations
Zero-equation (Chen and Xu 1998)
Standard k- (Launder and Spalding 1974)
RNG k- (Yakhot and Orszag 1986)
Realizable k- (Shih et al. 1995)
LRN-LS (Launder and Sharma1974)
LRN-JL (Jones and Launder 1973)
LRN-LB (Lam and Bremhorst 1981)
LRN k- (Wilcox 1994)
SST k- (Menter 1994)
v2f-dav (Davidson et al. 2003)
v2f-lau (Laurence et al. 2004)
RSM-1P (Gibson and Launder 1978)
RSM-EASM (Gatski and Speziale 1993)
LES-Sm (Smagorinsky 1963)
LES-Dyn (Germano et al. 1991; Lilly 1992)
LES-Filter (Zhang and Chen 2000, 2005)
DES (S-A) (Shur et al. 1999)
DES (ASM) (Batten et al. 2002)

Report
Prevalent Models
Identified
Indoor zero-equation
RNG k-
LRN-LS
SST k-
v2f-dav
RSM-1P
LES-Dyn
DES-SA
Page 59 of 65
A.6
Numerical Solution of fluid equations
A.6.1
Introduction
The solution of the Navier-Stokes equations for the previously mentioned problems cannot be obtained analytically. Numerical techniques are applied in order to approximate the exact solution of the
Navier-Stokes equations, which in the majority of cases is not possible to be obtained. The different
methods that have been developed and are used widely nowadays are the Finite Element, Finite Difference and Finite Volume methods. Each one has some characteristics that make it suitable for certain fluid
problems, but in any case the vast majority of the commercially available CFD software are based on
Finite Volume formulation, however the tendency is to use the Finite Element Method. However, in the
next paragraphs a general description of each method is presented.
A.6.2
Finite Difference Method
The solution of partial differential equations that describe physical phenomena can take place using
the Finite Difference Method. The core idea behind this method is the substitution of the derivatives of the
partial differential equation with an algebraic function that reduces the problem complexity. In order to
visualize this method we solve the u=u(t,x) (one-dimensional problem) on the domain = [0, T ][0, L].
The domain is discretized into spatial and time intervals for which we have:
xj = xj+1 xj , j = 0, 1, 2, .....m
tn = tn+1 tn , n = 0, 1, 2, .....m
(A.34)
What is important to mention is that the solution of the differential equation that describes the
physical phenomenon is an approximation of the analytical solution (if this solution of course exists).
The numerical solution is obtained performing the calculation of the differential equation at the spatial
grid points described in A.34 at each time instance tn . The numerical solution is obtained using the
definition of the derivative of the partial differential equation shown in equation A.35.

Report
Page 60 of 65
u(xj + h) u(xj )
(Forward difference)
h0
h
u(xj ) u(xj h)
ux (xj ) = lim
(Backward difference)
h0
h
u(xj + h) u(xj h)
ux (xj ) = lim
(Centered difference)
h0
2h
ux (xj ) = lim
(A.35)
The value obtained using these formulae approximate the exact solution of the partial differential
equation and thus there is always an error that depends on the size of the h selected. The approximation
of this error is taking place using the Taylor theorem around a grid point xj .
u(xj+1 ) = u(xj + x)
= u(xj ) + ux (xj )x + uxx (xj )
(x)2
+ O((x)3 )
2
(A.36)
Thus
ux (xj ) =
u(xj+1 ) u(xj )
x
+ uxx (xj )
+ O((x)2 )
x
2
(A.37)
The forward and backward difference methods are first order accurate meaning that the error is a
linear function of x, while the centered difference method is a second order accurate approximation
with the error being a quadratic function of x. There are various combinations of space and time
discretization schemes (e.g. backward difference for space and centered difference for time) that are
adapted to the problem to be solved. In order to demonstrate these methods we consider the heat equation
with Dirichlet boundary conditions.
Ut = Uxx
U (0, t) = U (1, t) = 0
U (x, 0) = U0 (x)
(A.38)
Explicit method
The combination of forward difference for time around a time instance tn and a centered difference method for space discretization around a position xj , results to the explicit method and the
Report
Page 61 of 65
following formula holds:

un+1
unj
unj+1 2unj + unj1
j
=
k
h2
(A.39)
where k is the time step.

The advantage of this method is that for the time instance tn+1 the calculation of the response for
all points in the space grid is done by solving only one equation:
un+1
= (1 2
j
k n
k
k
)uj + 2 unj1 + 2 unj+1
2
h
h
h
(A.40)
The numerical error is proportional to the time step chosen and proportional to the square of the
space step. The method is conditionally stable with k/h2 < 1/2 in order to obtain convergence.
Implicit method
The implementation of the backward difference for time step and centered difference for the space
step results to the implicit method. The recurrence formula that describes this method is the following:
n+1
un+1
+ un+1
un+1
unj
j+1 2uj
j1
j
=
2
k
h
(A.41)
The equation that is obtained for the tn+1 time instance is not a single one but rather a system of
equations which has to be solved in order to obtain the new values for the next time step as it is
shown in the following equation:
un+1
= ukj +
j
k n+1
(uj+1 2un+1
+ un+1
j
j1 )
2
h
(A.42)
Although it is slower as method it does not require any special considerations in order to render it
stable. Thus the space and time step can be chosen with more flexibility.
Crank-Nicolson method
Using the central difference at time tn+ 1 and also for the space discretization the formula that is
2
obtained is the following:
un+1
unj
j
k
!
=
n+1
un+1
+ un+1
unj+1 2unj + unj1
j+1 2uj
j1
+
h2
h2

Report
(A.43)
Page 62 of 65
As it is the case for the implicit method, the calculation of the un+1
is done through the solution
j
of a system of equations. It is a computationally intensive method, however, it is unconditionally
stable and the error is a quadratic function over the time step and fourth order over the space step.
un+1
= unj +
j
A.6.3

k
n+1
n+1
n+1
n
n
n
u
2u
+
u
+
u
2u
+
u
j+1
j
j1
j+1
j
j1
2h2
(A.44)
Finite Element Method
The finite element method goes one step further in order to perform the solution of partial differential equations that describe physical phenomena. The main idea is to split the domain of solution of the
PDE into small areas where the solution is considered known. The solution over the whole domain is the
sum of all the smaller domain solutions. Mathematically this is described by the following equation:
u(x) u
b(x) =
M
X
uj j (x)
(A.45)
j=1
where j are basis functions, uj is the vector of unknowns that has to be calculated. In fact the continuous
variable u(x) is transformed to a discretized system of linear equations. In order to better visualize the
procedure to achieve this discretization let us consider a typical 1D elliptic problem.
00
= f,
0<x<1
u(0) = u(1) = 0
(A.46)
The first step to follow in order to resolve the problem is to establish the weak formulation of the
problem. The idea behind the weak formulation is that in fact reduces the requirements for the solution of
the PDE. The solution of the PDE can be valid for a certain vector set. Mathematically this is performed
by multiplying the previous equation with a test function v and integrate.

Report
Page 63 of 65
00
u vdx =
0
1
Z
0
f vdx
0
v|10
f vdx
=
u v dx u
0
Z 1
Z 1
0 0
u v dx =
f vdx
0
u V
(A.47)
The same boundary conditions hold also for v (v(0) = v(1) = 0). The next step is to define a
subspace Vh such that Vh V with 0 = x0 < x1 < ... < xM +1 = 1, hj = xj xj1 and h = maxhj .
Without going to much in the mathematic detail, we now have to define continuous functions over the
subspaces that have been defined. Having in mind that the possibilities for these functions are infinite,
it is possible to introduce basis functions j (xi ) = ij with i,j=0,1,2,...,M+1. Implementing the same
P
linearization technique for u it is possible to write u = M
i=1 i i (x). Now the problem is reduced in
finding i such that:
Z
0
M
1X
i j dx =
i=1
f j dx
j = 1, ..., M
(A.48)
R1 0 0
What has been obtained is that the 0 i j can be easily evaluated and in fact has a matrix form
R1
that is called stiffness matrix. The same holds also for the right hand part 0 f i dx of the equation that
in fact is a vector. Thus finally the problem has been reduced to the following linear equations system:
A = b
(A.49)
In fact it is a method that is similar to the Finite Difference Method, however, it has the capability
of treating far more complex problems especially in terms of geometry.
A.6.4
Finite volume method
The Finite Volume Method (FVM) is an approach similar to Finite Element Method but is more
adapted to the solution of fluid problems. In fact the FVM is well suited for the solution of problems
that their mathematical formulation is based on conservation laws. As an example, let us consider the
Report
Page 64 of 65
simple problem u
+ f (u) = 0, where u is the conserved quantity and f (u) = [f1 (u), ..., fd (u)] is
t
the flux vector. As it is already stated, the finite volume method is suitable for solving the integral form
of conservation laws. Integrating thus the previously mentioned equation we get:
I
udx +
fi ni ds = 0
(A.50)
Obviously the Gauss divergence theorem has been used in order to transform the divergence term
into a surface integral one. Now we follow an approach similar to the finite element one, dividing the
computational domain into cells of finite volumes Vr . Averaging over the Vr it is possible to obtain the
following value for the conserved quantity:
1
ur =
|Vr |
Z
u(x)dx
(A.51)
Vr
Now the integral form of the conservation law for a finite volume cell Vr is taking the following
form:
X Z
dur
|Vr |
+
fi ni ds = 0
dt
(A.52)
sN (r)
where N(r) is the set of finite volumes that share a common face with the finite volume Vr . The flux
integral is approximated through a gauss quadrature as in finite element case.

Report
Page 65 of 65
European Commission
EUR 24262 EN Joint Research Centre Institute for Health and Consumer Protection
Title: Computational Fluid Dynamics for Indoor Air Quality Assessment
Author(s): Georgios Giannopoulos
Luxembourg: Office for Official Publications of the European Communities
2009 39 pp. 21,0 x 29,7 cm
EUR Scientific and Technical Research series ISSN 1018-5593
ISBN 978-92-79-15061-6
DOI 10.2788/64368
Abstract
Indoor Air Quality issues are highly related to health issues and are considered responsible for various disorders
that are encountered in everyday life. Considering that the majority of our time is consumed in indoor
environments, it is obvious that the research in this domain is among the priorities for research institutes around
the globe. The Institute for Health and Consumer Protection (IHCP) has a long history in performing research
for IAQ. The scope of the present report has been to introduce the reader to the use of Computational Fluid
Dynamics field (CFD) modeling techniques for the assessment of IAQ issues. The literature is vast and there
has been an effort to group the findings according to their focus (Sources, flow field, deposition in human organs
etc.). Obviously, the list of publications examined is not exhaustive but it rather provides the background for
further study in the domain of CFD for IAQ.
How to obtain EU publications

Our priced publications are available from EU Bookshop (http://bookshop.europa.eu), where you can place
an order with the sales agent of your choice.
The Publications Office has a worldwide network of sales agents. You can obtain their contact details by
sending a fax to (352) 29 29-42758.
LB- NA- 24262- EN- C
The mission of the JRC is to provide customer-driven scientific and technical support
for the conception, development, implementation and monitoring of EU policies. As a
service of the European Commission, the JRC functions as a reference centre of
science and technology for the Union. Close to the policy-making process, it serves
the common interest of the Member States, while being independent of special
interests, whether private or national.

Lbna2 4262enc - 002

Uploaded by

Document Information

Original Title

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

Lbna2 4262enc - 002

Uploaded by

Copyright:

Available Formats

Computational Fluid Dynamics for Indoor

Air Quality Assessment

EUR 24262 EN - 2009

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

CFD models for IAQ assessment

Simulation of IAQ experiments through CFD . . . . . . . . . . . . . . . . . . . . . . .

Airflow and particle transport . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

CFD and chemical reactivity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Human intake and internal organs deposition . . . . . . . . . . . . . . . . . . . . . . . .

Multidisciplinary CFD models . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

CFD and existing/future experimental activities

CFD and INDOORTRON based experimental procedures . . . . . . . . . . . .

Fluid flows, dispersion of chemicals and indoor chemistry . . . . . . .

Particles and IAQ . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Photocatalysis and CFD . . . . . . . . . . . . . . . . . . . . . . . . .

HVAC design and CFD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Z:\Quality System\Quality records\Report\PSCM\2009

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

Future research activities in the domain of IAQ modelling with CFD . . . . . . .

Geometrical model development . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Inlet Boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Outlet Boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Wall boundary conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Fan system modelling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

SST Turbulence model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Boundary Layer and Turbulence . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Establishment of the steady state flow . . . . . . . . . . . . . . . . . . . . . . . . . . .

Transient analysis of CO distribution for various air exchange rates . . . . . . . . . . . .

3.10 Postprocessing and comparison with experimental results . . . . . . . . . . . . . . . . .

A Theoretical Elements of CFD Modelling

A.2 Continuum Hypothesis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.3 Lagrangian and Eulerian formulation . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.4 Mach number and area of study . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.5 Navier-Stokes equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.5.1 General form . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.5.2 Incompressible flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Z:\Quality System\Quality records\Report\PSCM\2009

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

A.5.3 Inviscid Flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.5.4 Turbulent flow . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.6 Numerical Solution of fluid equations . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.6.2 Finite Difference Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.6.3 Finite Element Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

A.6.4 Finite volume method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Z:\Quality System\Quality records\Report\PSCM\2009

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

Z:\Quality System\Quality records\Report\PSCM\2009

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

Z:\Quality System\Quality records\Report\PSCM\2009

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

Simulation of IAQ experiments through CFD

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0

Chemical Assessment and Testing Unit

Figure 1.1: FLEC structure (From [8])

JRC.I.02.Form.CAT.032A Edited: 27-11-09 - Version 0