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Aspen Plus for Process Design and SimulationDesign and Simulation
Resource PersonsProf Dr Shahid NaveedProf. Dr. Shahid NaveedDr. –Ing. Naveed RamzanAssociate Professor
Mr. Farhan AhmadMr. Farhan AhmadLecturer
Ms Sana Yousaf
Course Organizing OfficerMs. 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 ModelsUnit Operation Models
• Sensitivity Analysis
• Final Workshop• Final Workshop
Aspen Plus for Process Design and Simulation
Course Agenda (Day – 1)• 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 ModelsUnit Operation Models
• Sensitivity Analysis
• Final Workshop• Final Workshop
Aspen Plus for Process Design and Simulation 3
Course Agenda (Day – 2)• 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 ModelsUnit Operation Models
• Sensitivity Analysis
• Final Workshop
4
• Final Workshop
Aspen Plus for Process Design and Simulation
Course Agenda (Day – 3)• 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 ModelsUnit Operation Models
• Sensitivity Analysis
• Final Workshop
5
• Final Workshop
Aspen Plus for Process Design and Simulation
Role of Simulation in Process DesignProcess Design
Resource Persons
Prof. Dr. Shahid Naveed
6Aspen Plus for Process Design and Simulation
Simulation
7Aspen Plus for Process Design and Simulation
Modelling and Simulation
1: What is Modeling
Description of any complete system inmathematical terms is called a mathematicalmodelmodel
2: What is Simulation2: What is Simulation
Solving the modeling equations eithernumerically or analytically
8Aspen Plus for Process Design and Simulation
Simulation and Modelling Problem in Process Engineering
Nano Micro Meso Macro Mega
MolecularProcesses,
Bubbles,Drops,Particles
Reactors,Columns,Exchangers,Pumps
ProductionPlants,Petrochemical
Environment,AtmosphereOceans
Active sites Particles,Eddies
Pumps,Compressors,...
PetrochemicalComplexes
OceansSoils
Lit.: Charpentier, J.-C.; Trambouze, P.: Process Engineering and problems encountered by chemical and related Industries in the near future Revolution or cointinuity?
9
by chemical and related Industries in the near future. Revolution or cointinuity? Chemical Enginering and Processing 37(1998) 559-565
10
Why Process SimulationThe development of new industrial processes requires the solution ofseveral unknown or expensive problems resulting from the scaling up,such as the impurities behaviour in a continuous run, the optimumsuch as the impurities behaviour in a continuous run, the optimumequipment design, the better fluid distribution, the pressure losses indifferent equipments, the operators training, etc. These problems shall beresolved with the high reliability and less costs as possible before theindustrial plant installation.
To solve these problems it is necessary to run the process either in pilotplants or to construct prototypes, but this way is too expensive andnormally very slow. Computer simulation applications can be used as acomplementary development tool that in many cases lead to accuratesolutions in shorter time and with much less consumption of resourcessolutions in shorter time and with much less consumption of resources.These computational tools are not used aiming to substitute traditionalones, but have demonstrated that can be a helpful complement intechnological development and design engineering
11
technological development and design engineering.
Process Simulation Tools
Simulations tools can help to resolve several of theseproblems, with low cost, high reliability and normally in lessproblems, with low cost, high reliability and normally in lesstime. Otherwise these tools can help to the process engineerto understand what happen, and what are the problematicpoints in the whole process or in a particular equipmentpoints in the whole process, or in a particular equipment.These tools can be classified in three groups depending onthe problem that are going to be resolved:
Process Simulation tools.
A computational fluid dynamics (CFD) tools.
Other particular simulation software
12
Other particular simulation software.
Process Simulation Tools
Objectives of Process Simulation Tools:
Optimizing the design and performance of product assets Opt g t e des g a d pe o a ce o p oduct assets
Increasing throughput and yield improving quality andIncreasing throughput and yield, improving quality, and reducing energy costs
Responding more quickly to unexpected events or changes in customer demandg
Managing the profitability of operations in real time
13
Managing the profitability of operations in real-time.
Types of Process Simulation Tools
In process engineering two types of simulations tools areused:used:
Steady-State Simulators: Or Static simulators.Typically used in process design, they simulate theyp y p g , yprocess at steady state conditions, usually at the designoperating conditions. In this kind of tools Time is not avariablevariable.
Dynamic models: consider time as a variable andsimulate the process over a period of time A dynamicsimulate the process over a period of time. A dynamicsimulation can be used to estimate or illustrate theresponse, over time, to a change in the process.
14
Steady State Process Simulation Tools
The steady state simulation tool produce a static simulation, which typically used in process design, to simulate the yp y p g ,process at steady state conditions, usually at the design operating conditions. This simulator don’t use Time as variablevariable.
Th i l ti t l ll th i t d il dThese simulation tools allow the engineer to do easily andstrictly mass balance and energy balance for a high variety ofchemical and petrochemical processes. Equipment andp p q pinstrument design, plant design, capital costs, and technicalevaluations are all dependent on such calculations.
15
Steady State Process Simulation ToolsAll of this tools contains:
• A Physical and chemical properties Data Base for severalelements and compounds and different methods to calculate theelements and compounds, and different methods to calculate theproperties of mix.
• A Drawing tool, which can help to produce the Process FlowDi (PFD)Diagrams (PFD).
• A Pre-modelled unit operation; like abortion columns, heaters,reactors, etc.
There are several different software for the steady state processsimulation as:
- VMG Sim - Aspen plus
- Metsim - Chemcad
Others
16
- Others
Dynamic Process Simulation Tools
Dynamic simulation tools consider time as a variable andsimulate the process over a period of time. A dynamicsimulation 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 revampstudies, operator training, testing of DCS configurations andthe development of operating proceduresthe development of operating procedures.
Several of the steady state software tools have an especialmodule to produce the dynamic simulation of the process. Forexample Aspen Dynamics
17
Computational Fluid Dynamic (CFD) Tools
Computational Fluid Dynamic (CFD) simulation software hasbeen used for more than twenty years in the aerospace andautomobile industries but it is recently being applied to newautomobile industries, but it is recently being applied to newindustry fields where heat transfer and fluids distributionproblems are present.
CFD is based on finite elements calculations. The simulationsoftware divides the 3D surface in discrete cells creating amesh. The software creates and calculates the Navier–Stokes equations for every cell within the mesh starting fromdefined boundary conditions It is possible to definedefined boundary conditions. It is possible to definecalculation 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•2D and 3D analysis of Newtonian fluids•External and internal flows •Steady-state and transient-state flows C ibl d ibl fl•Compressible and non-compressible flows
•Laminar, turbulent and transitional flow regimes •Flows with vortex
There are several different CFD software as:
- Fluent
•Multicomponent flows•Heat transference effects•Gravitational effects - Fluent
- Floworks- Flow Science
•Gravitational effects.
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 InterfaceGraphical User Interface
27
Lesson Objectives
Aspen Tech Company Information
Simulation Targets
Li t f A T h P d tList of AspenTech Products
AspenTech Company Information
• Advanced System for Process Engineering (ASPEN)
• Project conducted at the Massachusetts Institute of Technology (MIT) in Cambridge MassachusettsTechnology (MIT) in Cambridge 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 TargetsProcess Simulation
Debottlenecking
R i
Optimization,design etc.
H t i t ti tSteady State Simulation Revamping
Operation
Heat integration etc.
Sensitivity, maintenance
Steady State Simulation
Process Control Real time optimization
Operation
Dynamic Simulation
Start up, Shut down, safety
Operator Training
Operational failures Safety examinations, designDisturbance Simulation
Operator Training
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)• Planning & Scheduling (10 products : Aspen Advisor, Aspen MBO)
• 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)of sales in 1995)a steady state modeling system built around the core technology
• Properties PLUSIt is a database of chemicals properties underlying its other products popular with customers ~ developed inother products, popular with customers ~ developed in-house modeling software
Oth d l• Other modules» offers to the customers ~ license separately » use with its other products to model subsystems used
i hi hl i li d h i l i li iin highly specialized chemicals processing application.
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
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
FlowSheet Definition
Basic Input to Run Aspen Plus SimulationSimulation
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 d l» Activity model
» Special models
• Selection of Property Package• Selection of Property Package
• Recommended Property Packages
Simulation Algorithm
Types of properties
Th th t f tiThere are three types of properties:
» Thermodynamic properties» Transport properties» Kinetic properties
Why are physical properties important ?
• A key requirement of process design is the need to• A key requirement of process design is the need toaccurately reproduce the various physical properties thatdescribes chemical species.
• Accurate representation of physical properties is essentialkey to meaningful simulation result.
• Aspen Plus also allow you to predict properties of mixturesranging from well defined light hydrocarbon systems toomple oil mi t es and highl non ideal (non ele t ol te)complex oil mixtures and highly non-ideal (non-electrolyte)
chemical systems.
Properties of Unit Operations
Can we believe simulation results?
Reasons:Reasons:
• Improperly selected thermodynamic models.
• Inadequate model parameters.
• Incorrect hypothetical components generation• Incorrect hypothetical components generation.
• Problems with plant data consistency.
Property Package
• Property package is a collection of models that simulationtool (Aspen Plus) uses to compute thermodynamictool (Aspen Plus) uses to compute thermodynamic,transport and other properties.
P t k d fi d b l l ti th ( t )• Property packages are defined by calculation paths (routes)and physical property equations (models), which determinehow properties are calculated.
• Aspen Plus includes a large number of built-in propertypackages 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:• 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 methodsand models:
• Most basic property methods
and models:
• Most basic property methodsbased on ideal behavior ofsystem.
• Mixture properties are basedon mole fraction averages ofpure components propertiespure components properties.
Equation-of-state Property Packages
EOS property method uses the following calculation methodsand models:
• It accounts the Departure fromideality.
• In EOS property methods,vapor and liquid properties areall calculated by the same
d lmodel.
• Extrapolates reasonably wellwith temperature and pressure.
• Inability to accurately predictab ty to accu ate y p ed cthighly non-ideal liquidmixtures.
Activity coefficient Property Methods
Activity coefficient property methods use the followingcalculation methods and models for pure component
• Vapor and liquid propertiesl l d b diff
properties:
are calculated by differentmodels.
• Ability to represent highlynon-ideal liquid mixtures.
• Inconsistent in the criticalregion.
Activity coefficient Property packages
Special Property packages
• Additional property packages use special correlations and are available for special applications:are available for special applications:
Selection of
Property Packagesp y g
How to choose the best property prediction
method for simulation ?
Importance of Selecting the Appropriate
property package p p y p g
• Correct predictions of the physical properties of the mixtureCorrect predictions of the physical properties of the mixtureas a function of temperature and pressure.
• Each method is suitable only for particular types of• Each method is suitable only for particular types ofcomponents and limited to certain operating conditions.
Choosing the wrong method may lead to incorrect• Choosing the wrong method may lead to incorrectsimulation results.
l l f l bl d• Particularly important for reliable computations associatedwith separation operations (distillation, LL extraction, etc.).
Example: 2-propanol water
Principle Steps in Selecting the Appropriate
Property Packagep y g
1. Choosing the most suitable model.g
2. Comparing the obtained predictions with data from theliterature.
3. Adding estimates for components that not available in thechosen package.
4. Generation of lab data if necessary to check the propertymodel.
Criteria of choosing suitable property package
• The choice of which the property package to use should be based on based on
» Composition» Temperature and pressure» Temperature and pressure» Availability of parameters
Issues in Selection of the Appropriate property Packagep p 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 theprocess in question or with the components in the process.
• Simulator reference manual (HELP).
• Databanks
• Rules of thumb.Rules of thumb.
Property Package Decision Flowchart
Guidelines for choosing a property package
Guidelines for choosing a property package
Guidelines for choosing a property package
Recommendations for the Selection of the Appropriate Property Package
• Eric Carlson, “Don’t gamble with physical properties forsimulations,” Chem. Eng. Prog. October 1996, 35-46
• Prof J.D. (Bob) Seader, University of Utah
• Hyprotech Recommendations• Hyprotech Recommendations
Recommended Property Packages
Recommended Property Packages
Recommended Property Packages
Recommended Property Packages
Recommended Property Packages
Hyprotech Recommendations
Example
• Find the best thermodynamic package for 1-Propanol• Find the best thermodynamic package for 1-Propanol ,H2O mixture.
1-Propanol ,H2O mixture
Non-electrolyteSee Figure 2
Figure 1
E?Polar
Polarity
R?Real or pseudocomponents
P? Pressure
E? Electrolytes
LL?Yes
ij?
LL?
P < 10 bar NoWILSON, NRTL,UNIQUAC and their variances
Figure 2
P?
j
No
their variances
P?
UNIFAC and its
PolarNon-electrolytes
LL?No
Noextensions
LL? Liquid/Liquid
P? Pressure
ij?ij? Interaction ParametersAvailable
HC? Hydrocarbons
LG? Light gasesFigure 3
LG?Yes
PC? Organic Polar Compound
Yes See Figure 4
HC?No PC?
Compound
Figure 4 Yes NRTL, UNIQUAC
PPS?Available
BIP?PC with HC
Binary InteractionUNIFACNot Available
PPS? Possible PhaseSplitting
BIP? Binary InteractionParameters
Splitting
1-Propanol, H2O
98
100TXY diagram for 1-Propanol, H2O
Perry NRTL
94
96
98 NRTL PRSV UNIQUAC Van-Laar (Built-inVan-Laar(Perry)
90
92
94
T [o C
]
86
88
90T
0 0 1 0 2 0 3 0 4 0 0 6 0 0 8 0 9 182
84
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
1-Propanol mol. frac.
RADFRAC & Distillation Column ModelingModeling
Resource PersonDr. –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
QcV2Stage f-1
D
Q
L
2
Stage 2 vik
V H
Stage k-1
lik-1
L h
vif
VfHf
lif-1Lif-1hf- 1
Vif+VifViF
DL1
Stage f
F
S Stage p
vik+1
Vk=1HK+
VkHK
likLk hK
Stage kLk-1 hK-1
vif+1 lif
lif-1+liF
liF
Stage f
BStageN
S Stage p
Overall Column Model
1
Simple Stage Model
Vf+1Hf+1 Ljhf
Feed Stage Model+l l 0 l L F l 0Overall Column Model
Fi+Si-Di-Bi=0F+S-D-B=0
vik+1+lik-1-vik-lik=0
Vk+1+Lk-1-Vk-Lk=0
vif+1+lif-1+LiF-vif-lif=0
Vf+1+Lf-1+Ff –Vf – Lf =0
Mathematical Model Behind RADFRAC
The Equilibrium Equation The Summation Equation
yik = Kik xik OR vik/ Vk = Kik lik/ Lk
Kik = Kik( Tk,Pk, xik yik )
For Liquid Phase∑c
i xik –1 = 0 or ∑c l / L 1 = 0
For Vapor Phase∑c
i yik –1 = 0 or ∑c v / V 1 = 0ik = ik( k, k, ik , yik ) or ∑c
i lik/ Lk –1 = 0 or ∑c
i yik/ Kik –1 = 0 or ∑c
i vik/ Vk –1 = 0 or ∑c
i Xik Kik –1 = 0
Mathematical Model Behind RADFRAC
Overall Energy Balance for Column
FHF-DHD-BhB +SHS-QC=0
For Condenser
V2H2+L1h1-DH1-Qc = 0For Simple Stage
Vk+1Hk+1+Lk-1hk-1-Lkhk-VkHk=0
2 2 1 1 1 Qc
Hk = Hk( Tk,Pk , yik )
For Feed Stage
FH +V H +L h -L h -V H =0
hk = hk( Tk,Pk , xik )
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 Configuration sheet
RADFRAC Setup Configuration sheet
RADFRAC Setup Streams sheet
RADFRAC Setup Streams 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
RADFRAC Design Specifications
RADFRAC Design Specifications
RADFRAC Design Specifications
RADFRAC Design Specifications
RADFRAC Design Specifications
Example: Design Specifications
Example: Design Specifications
Exercise
July 06, 2010 157
Exercise
Exercise
Aspen Plus for Process Design and SimulationDesign and Simulation
Course Agenda
• Role of Simulation in Process Design
• Aspen Tech Products and Aspen Plus BasicsAspen Tech Products and Aspen Plus Basics
• Physical Properties Model and Properties Estimation
• HEATX and Heat Exchanger Modelling• HEATX and Heat Exchanger Modelling
• RADFRAC and Distillation Column Modelling
Unit Operation Models• Unit Operation Models
• Sensitivity Analysis
i l k h• Final Workshop
July 06, 2010 Aspen Plus for Process Design and Simulation 161
Course Agenda (Day –3)
• Role of Simulation in Process Design
• Aspen Tech Products and Aspen Plus BasicsAspen Tech Products and Aspen Plus Basics
• Physical Properties Model and Properties Estimation
• HEATX and Heat Exchanger Modelling• HEATX and Heat Exchanger Modelling
• RADFRAC and Distillation Column Modelling
Unit Operation Models• Unit Operation Models
• Sensitivity Analysis
i l k h• Final Workshop
July 06, 2010 162Aspen Plus for Process Design and Simulation
Sensitivity Analysis using Aspen PlusAspen PlusResource Person
Dr. Naveed Ramzan
July 06, 2010 163Aspen Plus for Process Design and Simulation
Cumene Production Process
Lesson Objectives
Sensitivity Analysis
Defining the Sensitivity Analysis
Defining the 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
Steps for Sensitivity Analysis
P itPurity (mole fraction) of cumene in Product StreamStream
Steps for Sensitivity Analysis
P itPurity (mole fraction) of cumene in Product StreamStream
Steps for Sensitivity Analysis
COOLCOOL Outlet Temperature
Steps for Sensitivity Analysis
COOLCOOL Outlet Temperature
Steps for Sensitivity Analysis
Steps for Sensitivity Analysis
Viewing Results
Plotting
Notes
Exercise
July 06, 2010 187
Exercise
Thermodynamic Model
What would be the effect of flow rate of phenol onWhat 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 PersonsProf. Dr. Shahid NaveedDr. –Ing. Naveed RamzanMr. Farhan Ahmad Ms Sana Yosuf
Process Description
Flow Sheet Diagram
Sensitivity Analysis
Design Specification