ICAS: Integrated Computer Aided System - CAPEC

C A P E CICAS:Integrated Computer Aided SystemRafiqul GaniCAPECDepartment of Chemical EngineeringTechnical University of DenmarkDK-2800 Lyngby, Denmarkhttp:// www.capec.kt.dtu.dk

OUTLINEC APEC• CAPEC - Brief Introduction• Integrated Computer Aided System• Introduction• Main features• Integrated process modeling, design,analysis and operation• Examples of application• Conclusions2

Typical Problem in Process Engineering C APECINPUTProcess or Product?Operation or LifecycleOUTPUTInputs and outputs may be known butknowledge of flowsheet, equipmentparameters, condition of operation, ... may bepartially or totally unknown !ICAS: Introduction 3

Tools Needed for problem solutionC APEC* Models (Properties, process, …)* Algorithms (synthesis, design, control, …)* Simulation engine (steady state/dynamic)* Knowledge-base (information storage)* Numerical methods (solvers)* Process analysis (environmental impact,safety, energy consumption, operability,…)Note: Simulation engine is only one tool in an integrated systemICAS: Introduction 4

ICASADD TO THE SYSTEMNew Components(Property Prediction)New ReactionsNew Models(Model Generation)PROBLEM DEFINITIONFlowsheetComponents / ReactionsUnits of MeasureConstitutive ModelsWhat to SolveMethod of SolutionSet/Initialize VariablesOutput (Detail/Form)TOOL BOXESDesign / SynthesisSolvent/FluidEquipmentFlowsheetControlParameter EstimationAnalysisEnergyEnvironmentalControlThermodynamicPropertyThermo-modelPhase DiagramsDATABANKSINFORMATIONSTORAGEKinetic ModelExpert SystemSIMULATORMANAGERModel EquationsAdaptationAnalysisSolversBalance EquationsLinearizationDegrees of FreedomAE / ODE / DAEConstraint EquationsReductionIndex / Sparse PatternPDEConstitutive relationsIdentificationPartitioning / OrderingLP / NLPRHS for the units that are solved togetherRHSXMILP / MINLP5

Problem DefinitionProblem ExecutionDrawing ToolsWorkingAreaICAS ToolsICAS Features 6

ICAS Version 5.0C APEC* Property Package (Thermodynamic ModelLibrary; Thermodynamic Model Selection; PureComponent Property Prediction; CAPEC Database)* Synthesis & analysis tools (Process DesignStudio, Computer Aided Process Synthesis System,Reaction Analysis System,)* Simulation Engines (ICAS-SIM, DYNSIM,Batch Records/Operations in ICAS)* Computer Aided Modelling (ModGen, MoT)* Utility (SoluCalc, Phase diagrams & propertycorrelations)7

Design StudioBRICTMSControlParameter estimationModelgenerationFlowsheetgenerationSolventselectionReactionOptimizationPropertypredictionThe integrated tools help to define the simulation problem as wellas solve the individual synthesis/design/analysis problems8

Human activity versus computer activityProblemdefinitionModelcalibration &validationSystemcharacteristicsModelverificationProblemdataModelsolutionHumanModelconstructionComputerThe modeling process 9

CAPE-OPEN Modeling Steps! Conversion from “text“ to XML format (not necessary if modelin XML already available)! Import XML-model to MoT (modelling tool-box in ICAS)! Analyze model, debug model, define connections (ports, etc.)! Generate PMC (process modeling component - unit plug)! Run PMC from a suitable simulation engineModel equationsXML- ModelComponent generationThrough MoTPMCAnalysisDebugDefineConnectionsModeling through CAPE-OPEN interfaces 10

ICAS: Modeling FeaturesSolversModeling ToolsIcas-MoT 11

Demonstration ofProPred - pure component property predictionMoT - Modeling toolbox (from import of textfiles to generation of PMC & COM-objects!)12

ProPred with interface to Molecular Modeling (Chem3D)13

Computer aided modeling system: View of translated modelLibraryExplicitImplicitODEICAS-MoT 14

Analysis of the model equationsICAS-MoT 15

Solution of the model equationsICAS-MoT 16

Computer Aided DesignICAS Design/Synthesis Tools 17

Select/Design Suitable SolventICAS Design/Synthesis Tools - Demo of ProCamd 18

Process Design Studio - IAnalyzemixture &identifyseparationboundaries.Based on theanalysis,draw themass balancelines &configure thesequenceICAS Design/Synthesis Tools 19

Process Design Studio - IISpecify products and calculate theprofiles of temperature andcomposition for assumed reflux ratio– if reflux ratio < minimum, programwill identify the pinch conditionICAS Synthesis/Design Tools 20

Process Design Studio - IIIVisualize theprofiles – ifreflux ratio

Process Design Studio - IVFlosheet &design data istransferred andsimulationconvergeswithout anydifficulties22

Definition of interfaces for integration• Specific interfaces depend on specific tool (and releaseversion)• Prerequisites of tool interfacing– Documentation of data structures– Existence of generic methods" Generic tool interfaces# Describing data exchange between types of tools# So far given only on a general level# High specification effort for detailed interface specificationTool ATool BTool type x Tool type y(tool type x) (tool type y)Internal datastructureGeneric datastructureGeneric datastructureInternal datastructureIntegrated process engineering through CAPE-OPEN 23

Methyl Acetate case study• Design of a plant for Methyl Acetate production– Esterification process: MeOH + AcOH → MeAc + H 2O– 20000 t/y• Characteristics– Well studied processAt least 8 flowsheets inliterature– Complex physicalbehaviour– Both traditional andhybrid processesinvolved– Several CAPE toolsrequiredAcOHMeOHMixer1 barMeAcMeOHH 20AcOH1 barMixer1 barH 20AcOHMeOH5 barMeAc 99.9%MixerIntegrated process engineering through CAPE-OPEN 24

Screen shots from application - ISame property modelin simulators &analysis tool-boxDatatransferProcess synthesis tool-box:Pressure-swing distillationsystemIntegrated process engineering through CAPE-OPEN 25

Screen shots from application - IIGenerate distillationdesign data with PDSTransfer data to“Administrator”Integrated process engineering through CAPE-OPEN 26

Screen shots from application - IIIFlowsheet generatedby PDS in ICASTransfer data toPRO-IIFlowsheet in PRO-II, sameproperty model used, alldata (including initialestimates) have been passedIntegrated process engineering through CAPE-OPEN 27

Screen shots from application - IVSimulation of flowsheet in PRO-II converges very fast. Variousalternatives are generated in ICAS (PDS), simulated and optimizedin PRO-IIIntegrated process engineering through CAPE-OPEN 28

Computer Aided Design/OptimizationICAS: Simulation & optimization options 29

ICAS & CAPE-OPEN: Highlights* Tools integration* Consistent methodsand data for processand productdevelopment* Helps to solve processengineering problemsmore efficiently* Improves productivityby allowing sharing ofcommon knowledgebetween differentgroups of people* Simultaneous solving& learningMolecularDesign (CAMD)PropertyPredictionKnowledgeDatabasesICASModelDevelopmentFlowsheetsynthesis andcontrol designStatic andDynamicSimulation30

CONCLUSIONSC APEC• ICAS is able to provide the framework for trueintegration of process engineering calculations• Use of ICAS means improved efficiency of workand better communication between coworkers(avoid duplication, share common information, ..)• Reduction of time spent by the user in formulatingprocess engineering problems• Increases the efficiency of any simulation system• Currently being applied to solve industrialproblems by CAPEC member companies• Allows plug & play with external software (forexample, with Cape-Open interfaces)31