Aspen Plus - Module I

Aspen Plus for Process Design and Simulation
Resource Persons
Prof. Dr Prof Dr. Shahid Naveed Dr. Ing. Naveed Ramzan
Associate Professor
Mr. Farhan Ahmad

Lecturer
Ms Sana Yousaf
Course Organizing Officer Ms. Sana Yusuf
Course Agenda
Role of Simulation in Process Design AspenTech Products and Aspen Plus Features Aspen Plus graphical User Interface Aspen Plus Basics
Physical Properties Model and Properties Estimation HEATX and Heat Exchanger Modelling RADFRAC and Distillation Column Modelling Unit Operation Models Sensitivity Analysis Final Workshop
Course Agenda (Day 1)

Aspen Plus for Process Design and Simulation 3


Role of Simulation in Process Design

Resource Persons
Prof. Dr. Shahid Naveed
Simulation
Modelling and Simulation

1: What is Modeling Description of any complete system in mathematical terms is called a mathematical model 2: What is Simulation Solving the modeling equations numerically or analytically either
Simulation and Modelling Problem in Process Engineering

Nano Micro Meso Macro Mega
Molecular Processes, Active sites
Bubbles, Drops, Particles, Particles Eddies
Reactors, Columns, Exchangers, Pumps, Pumps Compressors, ...
Production Plants, Petrochemical Complexes
Environment, Atmosphere Oceans Soils
Lit.: Charpentier, J.-C.; Trambouze, P.: Process Engineering and problems encountered by chemical and related Industries in the near future Revolution or cointinuity? future. Chemical Enginering and Processing 37(1998) 559-565
9
10
Why Process Simulation

The development of new industrial processes requires the solution of several unknown or expensive problems resulting from the scaling up, such as the impurities behaviour in a continuous run, the optimum equipment design, the better fluid distribution, the pressure losses in different equipments, the operators training, etc. These problems shall be resolved with the high reliability and less costs as possible before the industrial plant installation. To solve these problems it is necessary to run the process either in pilot plants or to construct prototypes, but this way is too expensive and normally very slow. Computer simulation applications can be used as a complementary development tool that in many cases lead to accurate solutions in shorter time and with much less consumption of resources resources. These computational tools are not used aiming to substitute traditional ones, but have demonstrated that can be a helpful complement in technological development and design engineering engineering.
11
Process Simulation Tools

Simulations tools can help to resolve several of these problems, with low cost, high reliability and normally in less time. Otherwise these tools can help to the process engineer to understand what happen, and what are the problematic points in the whole process or in a particular equipment process, equipment. These tools can be classified in three groups depending on the problem that are going to be resolved: Process Simulation tools. A computational fluid dynamics (CFD) tools. Other particular simulation software software.
12
Process Simulation Tools

Objectives of Process Simulation Tools: Opt Optimizing the design and pe o a ce o p oduct assets g t e des g a d performance of product
Increasing throughput and yield improving quality and yield, quality, reducing energy costs
Responding more quickly to unexpected events or changes in customer demand g
Managing the profitability of operations in real time real-time.

13
Types of Process Simulation Tools

In process engineering two types of simulations tools are used: Steady-State Simulators: Or Static simulators. Typically used in process design, they simulate the yp y p g , y process at steady state conditions, usually at the design operating conditions. In this kind of tools Time is not a variable. variable Dynamic models: consider time as a variable and simulate the process over a period of time A dynamic time. simulation can be used to estimate or illustrate the response, over time, to a change in the process.
14
Steady State Process Simulation Tools

The steady state simulation tool produce a static simulation, yp y process design, to simulate the g , which typically used in p process at steady state conditions, usually at the design operating conditions. This simulator dont use Time as variable. variable
These simulation t l allow th engineer t d easily and Th i l ti tools ll the i to do il d strictly mass balance and energy balance for a high variety of chemical and petrochemical processes. Equipment and p p q p instrument design, plant design, capital costs, and technical evaluations are all dependent on such calculations.
15
Steady State Process Simulation Tools

All of this tools contains: A Physical and chemical properties Data Base for several elements and compounds and different methods to calculate the compounds, properties of mix. A Drawing tool, which can help to produce the Process Flow Diagrams (PFD) Di (PFD). A Pre-modelled unit operation; like abortion columns, heaters, reactors, etc. There are several different software for the steady state process simulation as: - VMG Sim - Metsim - Others
16
- Aspen plus - Chemcad
Dynamic Process Simulation Tools

Dynamic simulation tools consider time as a variable and simulate the process over a period of time. A dynamic simulation can be used to estimate or illustrate the response, over time, to a change in the process. This technology is commonly used for design and revamp studies, operator training, testing of DCS configurations and the development of operating procedures procedures. Several of the steady state software tools have an especial module to produce the dynamic simulation of the process. For example Aspen Dynamics
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Computational Fluid Dynamic (CFD) Tools

Computational Fluid Dynamic (CFD) simulation software has been used for more than twenty years in the aerospace and automobile industries but it is recently being applied to new industries, industry fields where heat transfer and fluids distribution problems are present. CFD is based on finite elements calculations. The simulation software divides the 3D surface in discrete cells creating a mesh. The software creates and calculates the Navier Stokes equations for every cell within the mesh starting from defined boundary conditions It is possible to define conditions. calculation objectives, for instance pressure, temperature, and flow velocity, at selected sites of the simulated volume.
18
Computational Fluid Dynamic (CFD) Tools

The following analyses can be performed: 2D and 3D analysis of Newtonian fluids External and internal flows Steady-state and transient-state flows Compressible and non-compressible fl C ibl d ibl flows Laminar, turbulent and transitional flow regimes Flows with vortex There are several different CFD Multicomponent flows Heat transference effects software as: Gravitational effects effects. - Fluent - Floworks - Flow Science
19
Required Competency
20
Impact on Chemical Process Industry
21
Design and Analysis through process simulation
Main steps of process simulation
Steady state simulation- Solve algebraic equations
Problem definition What information do we need?
Problem definition
What do we need to define?
AspenTech Products & Aspen Plus Graphical User Interface
27
Lesson Objectives
Aspen Tech Company Information Simulation Targets List f AspenTech P d t Li t of A T h Products
AspenTech Company Information

Advanced System for Process Engineering (ASPEN) Project conducted at the Massachusetts Institute of Technology (MIT) in Cambridge Massachusetts Massachusetts, from 1976 to 1981 Over 2000 Employees world wide HQ in Cambridge, MA (Boston) Offices in 35 Countries Public held since 1994, NASDAQ www.aspentech.com http://support.aspentech.com http://support aspentech com
Process Simulation Targets

Process Simulation Debottlenecking Steady State Simulation Revamping R i Operation Process Control Dynamic Simulation Start up, Shut down, safety Operation Operator Training Optimization,design etc. Heat i t H t integration etc. ti t Sensitivity, maintenance
Real time optimization
Disturbance Simulation
Operational failures
Safety examinations, design
Products
Process Engineering Process simulation Chemicals (10 products : AspenPlus) Process simulation Oil&Gas (8 products : AspenHYSYS) ( p p ) Process simulation Refining (11 products : Aspenadsim+) Process simulation Batch/Pharma (8 products :Aspenproperties) Model Deployment (3 products : AspenModelrunner) Equipment modeling (8 products :AspenAcol+) Basic Engineering (2 products :AspenKbase) Economic Evaluation (3 products : Aspn Icarus Project Manager) Advance Process Control (14 products : Aspen Apollo, Aspen IQ) Planning & Scheduling (10 products : Aspen Advisor Aspen MBO) Advisor, Supply & Distribution (3 products : Aspen Retail) Production Management & Execution (16 products : Aspen 0server)
Products
Aspen Plus Aspen Plus is the most popular product (accounted 48% of sales in 1995) a steady state modeling system built around the core technology Properties PLUS It is a database of chemicals properties underlying its other products, popular with customers ~ developed in products inhouse modeling software Oth modules Other d l offers to the customers ~ license separately use with its other products to model subsystems used in highly i hi hl specialized chemicals processing application. i li d h i l i li i
Flowsheet Simulation
Flowsheet Simulation
General Simulation Problem
Approaches to Flowsheet Simulation
Good Flowsheeting Practice
Why Aspen Plus?
Starting with Aspen Plus
39
The User Interface
FlowSheet Definition
Automatic Naming of Streams and Blocks
Graphic Flowsheet Operations--Blocks
Graphic Flowsheet Operations-- Streams
Using the Mouse Button
Modifying Blocks and Streams
Exercise-I
48
Basic Input to Run Aspen Plus Simulation
50
Aspen Plus User Interface
Data Browser
Data Browser
Functionality of Forms
Help
Basic Input
Status Indicators
Example
Setup
Setup Specification Form
Setup Run Types
Setup Units
Components
Component Specification Form
Entering Components
Find
Pure Component DataBanks
Pure Component DataBanks
Properties
Properties Specification Form
Streams
Streams Input Form
Blocks
Blocks
Starting the Run
Control Panel
Reviewing Results
Exercise-II
July 06, 2010
78
Exercise-II
Property Packages & Property Estimation

Resource Person
FARHAN AHMAD
Contents
Introduction Properties of Unit Operations Property Packages
Ideal model Equation-of-state model A i i model Activity d l Special models
Selection of Property Package Recommended Property Packages
Simulation Algorithm
Types of properties
There are th Th three t types of properties: f ti Thermodynamic properties Transport properties Kinetic properties
Why are physical properties important ?
A key requirement of process design is the need to accurately reproduce the various physical properties that describes chemical species. Accurate representation of physical properties is essential key to meaningful simulation result. Aspen Plus also allow you to predict properties of mixtures ranging from well defined light hydrocarbon systems to complex oil mi t es and highl non ideal (non ele t ol te) omple mixtures highly non-ideal (non-electrolyte) chemical systems.
Properties of Unit Operations
Can we believe simulation results?
Reasons: Improperly selected thermodynamic models. Inadequate model parameters. Incorrect hypothetical components generation generation. Problems with plant data consistency.
Property Package
Property package is a collection of models that simulation tool (Aspen Plus) uses to compute thermodynamic thermodynamic, transport and other properties. P Property packages are d fi d b calculation paths ( t k defined by l l ti th (routes) t ) and physical property equations (models), which determine how properties are calculated. Aspen Plus includes a large number of built-in property packages that are sufficient for most applications. Modification of existing package Develop a new package
Available Property Packages
Property methods ca be categorized into 4 groups: Ideal Equation-of-state Activity coefficient Special
Ideal Property Method

Ideal Property method uses the following calculation methods and models:
Most basic property methods based on ideal behavior of system. Mixture properties are based on mole fraction averages of pure components properties properties.
Equation-of-state Property Packages

EOS property method uses the following calculation methods and models: It accounts the Departure from ideality. In EOS property methods, vapor and liquid properties are all calculated by the same model. d l Extrapolates reasonably well with temperature and pressure. ab ty accu ate y p ed ct Inability to accurately predict highly non-ideal liquid mixtures.
Activity coefficient Property Methods

Activity coefficient property methods use the following calculation methods and models for pure component properties: Vapor and liquid properties are calculated b diff l l d by different models. Ability to represent highly non-ideal liquid mixtures. Inconsistent in the critical region.
Activity coefficient Property packages
Special Property packages

Additional property packages use special correlations and are available for special applications:
Selection of p y g Property Packages
How to choose the best
property prediction
method for simulation ?
Importance of Selecting the Appropriate p p property p y package g

Correct predictions of the physical properties of the mixture as a function of temperature and pressure. Each method is suitable only for particular types of components and limited to certain operating conditions. Choosing the wrong simulation results. method may lead to incorrect
Particularly important f l l for reliable computations associated l bl d with separation operations (distillation, LL extraction, etc.).
Example: 2-propanol water
Principle Steps in Selecting the Appropriate Property Package p y g

1. 2. Choosing the most suitable model. g Comparing the obtained predictions with data from the literature. Adding estimates for components that not available in the chosen package. Generation of lab data if necessary to check the property model.
3.
4.
Criteria of choosing suitable property package

The choice of which the property package to use should be based on Composition Temperature and pressure Availability of parameters
Issues in Selection of the Appropriate p p property Package y g
Nature of mixture (e.g., hydrocarbon, polar, electrolyte, etc.) Pressure and temperature range Availability of data
Sources of Information
Publications and professional literature that deal with the process in question or with the components in the process. Simulator reference manual (HELP). Databanks Rules of thumb.
Property Package Decision Flowchart
Guidelines for choosing a property package
Recommendations for the Selection of the Appropriate Property Package
Eric Carlson, Dont gamble with physical properties for simulations, Chem. Eng. Prog. October 1996, 35-46 Prof J.D. (Bob) Seader, Hyprotech Recommendations University of Utah
Recommended Property Packages
Hyprotech Recommendations
Example
Find the best thermodynamic package for 1-Propanol , H2O mixture.
1-Propanol ,H2O mixture Figure 1 Polar Non-electrolyte
See Figure 2
E?
Polarity
R? P? E?
Real or pseudocomponents Pressure Electrolytes
Yes Figure 2 P < 10 bar
LL?
No WILSON, NRTL, UNIQUAC and their variances
ij? j
P?
Polar Non-electrolytes
No
LL?
No UNIFAC and its extensions
LL? Liquid/Liquid P? ij?
Pressure Interaction Parameters Available
Figure 3
HC? LG?
Hydrocarbons Light gases
Yes
LG?
No
Yes
See Figure 4
PC?
Organic Polar Compound
HC?
PC?
Figure 4
Yes
NRTL, UNIQUAC
Available
PPS?
PC with HC
BIP?
Not Available
BIP?
UNIFAC
PPS?
Binary Interaction Parameters Possible Phase Splitting
1-Propanol, H2O
100 98 96 94
TXY diagram for 1-Propanol, H2O

Perry NRTL PRSV UNIQUAC Van-Laar (Built-in Van-Laar(Perry)
T [ C]
92 90 88 86 84 82
0.1 01
0.2 02
0.3 03
0.4 04
0.5 0
0.6 06
0.7 0
0.8 08
0.9 09
1-Propanol mol. frac.
RADFRAC & Distillation Column Modeling

Resource Person
Dr. Ing. Naveed Ramzan
Associate Professor
118
Lesson Objectives
Multi-Stage Separation Models in Aspen Plus
RADFRAC
RADFRAC Flowsheet Connectivity
RADFRAC Configuration Options
RADFRAC Modeling Approach
Mathematical Model Behind RADFRAC
V2
Stage 2
Q Qc
Stage k-1 vik lik-1 Lk-1 hK1
Stage f-1 ViF Vif+Vif vif VfHf liF Stage f vif+1 Vf+1Hf+1 lif-1+liF lif Ljhf lif-1 Lif-1hf- 1
F S
L1
Stage f Stage p StageN
VkHK Stage k vik+1 Vk=1HK+

1
lik Lk hK
Simple Stage Model vik+1+lik-1-vik-lik=0 l 0
Feed Stage Model vif+1+lif-1+LiF if-lif=0 l L F-v l 0
Overall Column Model

Fi+Si-Di-Bi=0
F+S-D-B=0
Vk+1+Lk-1-Vk-Lk=0
Vf+1+Lf-1+Ff Vf Lf =0
The Equilibrium Equation
The Summation Equation For Liquid Phase

ci xik 1 = 0 or ci lik/ Lk 1 = 0 1 or ci yik/ Kik 1 = 0
yik = Kik xik
OR
vik/ Vk = Kik lik/ Lk
For Vapor Phase

ci yik 1 = 0 or ci vik/ Vk 1 = 0 1 or ci Xik Kik 1 = 0
Kik = Kik( Tk,Pk, xik , yik ) ,
Overall Energy Balance for Column

FHF-DHD-BhB +SHS-QC=0
For Condenser
V2H2+L1h1-DH1-Qc = 0 Q
For Simple Stage

Vk+1Hk+1+Lk-1hk-1-Lkhk-VkHk=0
Hk = Hk( Tk,Pk , yik ) hk = hk( Tk,Pk , xik )
For Feed Stage

FHF+Vf+1Hf+1+Lf-1hf-1-Lfhf-VfHf=0
Some RADFRAC Options
RADFRAC Demonstration
Basic Column Specifications
Basic Column Specifications
Optional Column Specifications
Operating Specification Selection Tips
Operating Specification Selection Tips
RADFRAC Setup Configuration sheet
RADFRAC Setup Streams sheet
RADFRAC Setup Pressure sheet
Plot wizard
Plot wizard
Plot wizard
Exercise
July 06, 2010
145
Exercise
Exercise
Column Performance Specifications
RADFRAC Design Specifications
Example:
Design Specifications
Example:
Design Specifications
Exercise
July 06, 2010
157
Exercise
Exercise
Course Agenda
Role of Simulation in Process Design Aspen Tech Products and Aspen Plus Basics
Physical Properties Model and Properties Estimation HEATX and Heat Exchanger Modelling RADFRAC and Distillation Column Modelling Unit Operation Models Sensitivity Analysis Final Workshop i l k h
July 06, 2010
161

Role of Simulation in Process Design Aspen Tech Products and Aspen Plus Basics Physical Properties Model and Properties Estimation HEATX and Heat Exchanger Modelling RADFRAC and Distillation Column Modelling Unit Operation Models Sensitivity Analysis Final Workshop i l k h
July 06, 2010
162
Sensitivity Analysis using Aspen Plus

Resource Person
Dr. Naveed Ramzan
July 06, 2010
163
Cumene Production Process
Lesson Objectives
Sensitivity Analysis
Defining the Sensitivity Analysis
Uses of Sensitivity Analysis
Sensitivity Analysis Example
Sensitivity Analysis Example
Assessing Variables
Variable Definition
Variable Definition Example
Variable Definition Notes
Steps for Sensitivity Analysis
Purity P it (mole fraction) of cumene in Product Stream
Purity P it (mole fraction) of cumene in Product Stream
COOL Outlet Temperature
COOL Outlet Temperature
Viewing Results
Plotting
Notes
Exercise
July 06, 2010
187
Exercise
Thermodynamic Model
What would be the effect of flow rate of phenol on MCH distillate purity, Condenser duty, reboiler duty
Aspen Plus for Process Design and Simulation Final Workshop Resource Persons
Prof. Dr. Shahid Naveed Dr. Ing. Naveed Ramzan Mr. Farhan Ahmad Ms Sana Yosuf
Process Description
Flow Sheet Diagram
Sensitivity Analysis
Design Specification

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Aspen Plus - Module I

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Aspen Plus for Process Design and Simulation

Mr. Farhan Ahmad

Course Agenda (Day 1)

Course Agenda (Day 2)

Course Agenda (Day 3)

Role of Simulation in Process Design

Aspen Plus for Process Design and Simulation

Aspen Plus for Process Design and Simulation

Modelling and Simulation

Aspen Plus for Process Design and Simulation

Simulation and Modelling Problem in Process Engineering

Molecular Processes, Active sites

Bubbles, Drops, Particles, Particles Eddies

Reactors, Columns, Exchangers, Pumps, Pumps Compressors, ...

Production Plants, Petrochemical Complexes

Environment, Atmosphere Oceans Soils

Why Process Simulation

Process Simulation Tools

Process Simulation Tools

Responding more quickly to unexpected events or changes in customer demand g

Managing the profitability of operations in real time real-time.

Types of Process Simulation Tools

Steady State Process Simulation Tools

Steady State Process Simulation Tools

- Aspen plus - Chemcad

Dynamic Process Simulation Tools

Computational Fluid Dynamic (CFD) Tools

Computational Fluid Dynamic (CFD) Tools

Impact on Chemical Process Industry

Design and Analysis through process simulation

Main steps of process simulation

Steady state simulation- Solve algebraic equations

Problem definition What information do we need?

What do we need to define?

AspenTech Products & Aspen Plus Graphical User Interface

AspenTech Company Information

Process Simulation Targets

Real time optimization

Safety examinations, design

General Simulation Problem

Approaches to Flowsheet Simulation

Good Flowsheeting Practice

Why Aspen Plus?

Starting with Aspen Plus

The User Interface

Automatic Naming of Streams and Blocks

Graphic Flowsheet Operations--Blocks

Graphic Flowsheet Operations-- Streams

Using the Mouse Button

Modifying Blocks and Streams

Basic Input to Run Aspen Plus Simulation

Aspen Plus User Interface

Setup Specification Form

Setup Run Types

Component Specification Form

Pure Component DataBanks

Pure Component DataBanks

Properties Specification Form

Streams Input Form

Starting the Run

July 06, 2010

Property Packages & Property Estimation

Selection of Property Package Recommended Property Packages