Basicsofprocesssimulation
1. Introductiontoprocesssimulation
DominicC.Y.FooandRafilElyas
1.1Processdesignandsimulation
2. Registrationofnewcomponents
DennyK.S.Ng,ChienHwaChongand NishanthChemmangattuvalappil
2.1Registrationofhypotheticalcomponents
3. Physicalpropertyestimationandphasebehavior forprocesssimulation
RafilElyas
3.1Chemicalengineeringprocesses 58
3.1.1Inletseparator58
3.1.2Heatexchanger59
3.1.3Gascompressor59
3.2Thermodynamicprocesses 60
3.2.1Characteristicthermodynamicrelationships61
3.2.2Maxwellrelationships62
3.3Equationsofstate 63
3.3.1Theidealgaslaw(c.1834)63
3.3.2Correctionstotheidealgaslaw (cubicequationsofstate)63
3.4Liquidvolumes 67
3.5Viscosityandotherproperties 69
3.6Phaseequilibria 69
3.6.1Vaporphasecorrection71
3.6.2Liquidphasecorrections72
3.6.3Bringingitalltogether74
3.7Flashcalculations 75
3.7.1“MESH”equations76
3.7.2Bubblepointflash77
3.7.3Dewpointflash77
3.7.4Two-phasepressure temperatureflash78
3.7.5Otherflashroutines78
3.8Phasediagrams 79
3.8.1Pressure temperaturediagramsofpurecomponents andmixtures79
3.8.2Retrogradebehavior83
3.9Conclusions 84
4. Simulationofrecyclestreams
DominicC.Y.Foo,SiewhuiChong andNishanthChemmangattuvalappil
4.1Typesofrecyclestreams 87
4.2Tipsinhandlingrecyclestreams 88
4.2.1Analyzetheflowsheet88
4.2.2Provideestimatesforrecyclestreams90
4.2.3Simplifytheflowsheet90
4.2.4Avoidoverspecifyingmassbalance91
4.2.5Checkfortrappedmaterial92
4.2.6Increasenumberofiterations92
4.3Recycleconvergenceandaccelerationtechniques
PartII
UniSimdesign
5. BasicsofprocesssimulationwithUniSimdesign DominicC.Y.Foo
5.1Exampleon n-octaneproduction
5.2Stage1:basicsimulationsetup
5.3Stage2:modelingofreactor
5.4Stage3:modelingofseparationunit
5.5Stage4:modelingofrecyclesystem
6. Designandsimulationofdistillationprocesses NishanthChemmangattuvalappilandJiaWenChong
6.1Fundamentalsofdistillationcalculations
6.2Distillationcolumnsimulation
6.3Debutanizerexample
6.3.1Settinguptheproblem128
6.3.2Operatingpressureselection130
6.3.3Effectofpressureonrelativevolatility130
6.3.4Effectofpressureonutilityselection131
6.4Preliminarydesignusingshortcutdistillation
6.5Rigorousdistillationcolumndesign
7. Modelingandoptimizationofseparationandheating mediumsystemsforoffshoreplatform DominicC.Y.Foo,RaymondE.H.OoiandPitchaimuthuDiban
7.1Oilandgasprocessingfacilityforoffshoreplatform
7.2Modelingofoilandgasprocessingfacilities
7.3Processoptimizationofheatingmediumsystems
PartIII
Symmetry
8. BasicsofprocesssimulationwithSymmetry
NurainShakinaRoslizam,AbdulRahimNorman, ShahrulAzmanAbidinandZulfanAdiPutra
8.1Exampleon n-octaneproduction
8.2Establishingthethermodynamicmodel
8.3Processmodeling
8.3.1Definingreactorinletfeedstreams160
8.3.2Modelingofreactor161
8.3.3Modelingofseparationunits163
8.3.4Modelingofrecyclesystems168 8.4Conclusions
9. Processmodelingandanalysisofanaturalgas dehydrationprocessusingtri-ethyleneglycol (TEG)viaSymmetry
SitiNurfaqihahAzhari,NoorhidayahBtHusseinand ZulfanAdiPutra
9.1Introduction
9.2Processdescription
9.3Processsimulation
9.3.1Thermodynamicmodelandfeedstreamspecification183
9.3.2Basecasesimulation184
9.4DewpointevaluationwithCaseStudytool
10. Basicsofbatchprocesssimulationwith SuperProDesigner
DominicC.Y.Foo 10.1Basicstepsforbatchprocesssimulation
10.4Settingforvesselprocedure
11. Modelingofcitricacidproductionusing SuperProDesigner
AlexandrosKoulouris
12.3Basecasesimulationmodel
aspenONEengineering
13. BasicsofprocesssimulationwithAspenHYSYS
NishanthChemmangattuvalappil,SiewhuiChongand DominicC.Y.Foo
14. Processsimulationanddesignforacetaldehyde production
LikYinNg,JieYiGoo,RebeccaLimandMijndertVanderSpek
14.2.1Simulationsetup296
14.2.2Processflowsheeting297 14.3Processanalysis/potentialprocessenhancement
14.3.2Operatingtemperatureofflashseparator306
15. Dynamicsimulationforprocesscontrolwith AspenHYSYS
RafilElyas
15.2.1Steady-stateanddynamicmodels311 15.2.2Dynamicmodelusage311
15.3.1Hold-up312
15.3.2Pressure-flowhydraulics314
15.3.3Dynamicmodelinformationrequirements317
15.3.4SettingupadynamicmodelinAspenHYSYS319
15.4ConstructingadynamicmodelinHYSYS
15.4.1Steady-stateprocessmodeling323
15.4.2Settingupdynamicparametersinthesteady-state environment325
15.4.3Transitioningtodynamics333
15.5Usingadynamicmodelforprocesscontroltuning 334
15.5.1Singleloopfeedbackcontroloverview335
15.5.2Settingupthetuningscenario336
15.5.3Runningthecasestudies336
15.5.4Othertuningstrategies338
16. BasicsofprocesssimulationwithAspenPlus
JohnFrederickD.Tapia
16.1Exampleon n-octaneproduction
16.1.1Stage1:simulationsetupinpropertiesenvironment344
16.1.2Stage2:modelingofreactorinSimulation environment344
16.1.3Stage3:modelingofseparatorinSimulation environment348
16.1.4Stage4:modelingofrecyclingintheSimulation environment350
16.1.5Stage5:simulationofheatintegrationscheme357
17. Designandevaluationofalternativeprocessesfor themanufacturingofbio-jetfuel(BJF)intermediate Bor-YihYu
17.1Introduction
17.2.1Componentsandphysicalproperties363
17.2.2Reactionkineticsofthealdolcondensationreaction364
17.2.3EconomicevaluationandCO2 emissionanalysis365 17.3Processdevelopment 367
17.3.1Scheme1367
17.3.2Scheme2371 17.3.3Scheme3373
17.3.4Aldolcondensationprocess376
17.4Processanalysis 379
17.4.1Economicevaluation379
17.4.2CO2 emissionanalysis381 17.4.3FutureprospectsinBJFproduction381
18. ProductionofdiethylcarbonatefromdirectCO2 conversion
Bor-YihYu,Pei-JhenWu,Chang-CheTsaiandShiang-TaiLin
18.2.1Physicalproperties392
18.2.2Reactionpathwayandkineticexpression397
18.2.3Basisforevaluatingtheprocesseconomicsandcarbon emission399
18.3ThedirectCO2-to-DECprocess
18.3.1Processdevelopment402 18.3.2Optimization404 18.4Techno-economicandCO2 emissionanalysis
A.1.Parametersforpure-componentproperties413
A.2.BinaryinteractionparametersfortheNRTLmodel420
A.3.ParametersforHenry’sconstantequation(temperaturein C)422
19. Multiplatformoptimizationonunitoperationand processdesigns
VincentiusSuryaKurniaAdi
19.1Introduction
19.2AspenPlusautomationinterface
19.3COMobjectsinMATLAB
19.4AspenSimulationWorkbook(ASW)
19.5Multiplatformoptimization
19.5.1Casestudy dichloro-methanesolventrecovery system432
19.5.2Sensitivityanalysiswithautomationinterfacein MATLAB435
19.5.3Multiobjectiveandmultilevelproblemunder multiplatformoptimizationwithautomation interfaceinMATLAB439
19.5.4Sensitivityanalysiswithautomationinterface inexcelusingASW440
20. Flexibledesignstrategyforprocesscontrollability
VincentiusSuryaKurniaAdi
20.1Introduction
20.2Flexibilityindexmodel
20.3AspenPlusRCSTRmodulecasestudy
20.4VertexmethodsforcalculatingFIofRCSTR
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Contributors
AbdulRahimNorman,PETRONASGroupTechnicalSolutions,ProcessSimulation andOptimization,KualaLumpur,Malaysia
AlexandrosKoulouris,DepartmentofFoodScienceandTechnology,International HellenicUniversity,AlexanderCampusSindos-Thessaloniki,Greece
Bor-YihYu,DepartmentofChemicalEngineering,NationalTaiwanUniversity,Taipei, Taiwan
Chang-CheTsai,DepartmentofChemicalEngineering,NationalTaiwanUniversity, Taipei,Taiwan
ChienHwaChong,DepartmentofChemicalandEnvironmentalEngineering,UniversityofNottinghamMalaysia,Semenyih,Selangor,Malaysia
DennyK.S.Ng,Heriot-WattUniversityMalaysia,Putrajaya,Malaysia
DominicC.Y.Foo,DepartmentofChemicalandEnvironmentalEngineering/Centreof ExcellenceforGreenTechnologies,UniversityofNottinghamMalaysia,Semenyih, Selangor,Malaysia
JiaWenChong,UniversityofNottinghamMalaysia,Semenyih,Selangor,Malaysia
JieYiGoo,Heriot-WattUniversityMalaysia,Putrajaya,WilayahPersekutuanPutrajaya,Malaysia
JohnFrederickD.Tapia,DeLaSalleUniversity,Manila,Philippines
LikYinNg,DepartmentofChemicalandPetroleumEngineering,FacultyofEngineering,TechnologyandBuiltEnvironment,UCSIUniversity,UCSIHeights, Cheras,KualaLumpur,Malaysia
MijndertVanderSpek,Heiort-WattUniversity,Edinburgh,UnitedKingdom
NishanthChemmangattuvalappil,UniversityofNottinghamMalaysia,Semenyih, Selangor,Malaysia
NoorhidayahBtHussein,PETRONASGroupTechnicalSolutions,ProcessSimulationandOptimization,KualaLumpur,Malaysia
NurainShakinaRoslizam,PETRONASGroupTechnicalSolutions,ProcessSimulationandOptimization,KualaLumpur,Malaysia
Pei-JhenWu,DepartmentofChemicalEngineering,NationalTaiwanUniversityof ScienceandTechnology,Taipei,Taiwan
PitchaimuthuDiban,Pand.aiPteLtd,Singapore
RafilElyas,EastOne-Zero-OneSdnBhd,ShahAlam,Selangor,Malaysia
xviii Contributors
RaymondE.H.Ooi,UniversityofNottinghamMalaysia,Semenyih,Selangor, Malaysia
RebeccaLim,Heriot-WattUniversityDubai,DubaiKnowledgePark,Dubai,United ArabEmirates
RuiMa,DepartmentofChemicalandEnvironmentalEngineering,Universityof NottinghamMalaysia,Semenyih,Selangor,Malaysia
ShahrulAzmanAbidin,PETRONASGroupTechnicalSolutions,ProcessSimulation andOptimization,KualaLumpur,Malaysia
Shiang-TaiLin,DepartmentofChemicalEngineering,NationalTaiwanUniversity, Taipei,Taiwan
SiewhuiChong,UniversityofNottinghamMalaysia,Semenyih,Selangor,Malaysia; Xodusgroup,Perth,Australia
SitiNurfaqihahAzhari,PETRONASGroupTechnicalSolutions,ProcessSimulation andOptimization,KualaLumpur,Malaysia
VincentiusSuryaKurniaAdi,DepartmentofChemicalEngineering,NationalChung HsingUniversity,Taichung,Taiwan
ZulfanAdiPutra,PETRONASGroupTechnicalSolutions,ProcessSimulationand Optimization,KualaLumpur,Malaysia
Howtousethisbook
Thisbookpresentssomeofthemostpopularcommercialsteady-stateprocess simulationsoftwareinthemarket.Itisbelievedthatthiswillbeagoodselflearningguideforstudentsandworkingprofessionalsinlearningprocess simulationsoftware,aswellasforuniversityinstructorswhoconductlectures onprocesssimulation.Eventhoughthechaptersareinterconnected,theyare mostlywrittenindependently;thisallowsreaderstoreadeachchapterwithout havingtoreadtheprecedingchapters.Note,however,thatthefourchaptersin Part1ofthebookserveasimportantguideonthevariousbasicprinciples behindallcommercialsimulationsoftware,e.g.,physicalpropertiesestimation (thermodynamicmodels),newcomponentregistration,recyclestreamsimulation,etc.Readersareencouragedtoreadthesechaptersbeforeproceedingto otherpartsofthebook(see Fig.1).Thisisparticularlyimportantfornovicein processsimulation.
Parts2 5ofthebookcoverfourdifferentfamiliesofcommercialsoftware inthemarket,i.e.,UniSimDesign,Symmetry,SuperProDesigner,and AspenONEEngineering.Eachofthesesoftwarehasanintroductorychapter (withstep-by-stepguide)toallownewusersinmasteringtheusageofthe software,beforegoingintoadvancedtopics. Table1 showsthelevelofdifficultiesforallchaptersinthisbook,inwhichthereadersmayrefertoin selectingthetopicforreading.
Apartfrombasicsimulationknowledgeandtheuseofsimulationtoolsin designingvariousproductionprocesses(e.g., n-Octane,bio-jetfuelintermediate,citricacid,diethylcarbonate,etc.),severaladvancedtopicsonprocess optimization(e.g.,heatingmediumsystemsforoffshoreplatform,naturalgas
FIGURE1 Suggestedflowinreadingthisbook.
TABLE1 Levelofdifficultyforeachchapter.
ChaptersLevel
Part1 Basicsofprocesssimulation
1IntroductiontoprocesssimulationBasic
2RegistrationofnewcomponentsBasic
3PhysicalpropertiesestimationforprocesssimulationBasic
4SimulationofrecyclestreamsBasic
Part2 UniSimdesign
5BasicsofprocesssimulationwithUniSimDesignBasic
6DesignandsimulationofdistillationprocessesAdvanced
7Modelingandoptimizationofseparationand heatingmediumsystemsforoffshoreplatform Advanced
Part3 Symmetry
8BasicsofprocesssimulationwithSymmetryBasic
9Processmodelingandanalysisofanaturalgas dehydrationprocessusingtriethyleneglycol(TEG) viaSymmetry Advanced
Part4 SuperProdesigner
10BasicsofbatchprocesssimulationwithSuperPro Designer Basic
11ModelingofcitricacidproductionusingSuperPro Designer Advanced
12Designandoptimizationofwastewatertreatment plant(WWTP)forthepoultryindustry Advanced
Part5 AspenONEengineering
13BasicsofprocesssimulationwithAspenHYSYSBasic
14Processsimulationanddesignofacetaldehyde production Advanced
15DynamicsimulationforprocesscontrolwithAspen HYSYS Advanced
16BasicsofprocesssimulationwithAspenPlusBasic
17DesignandEvaluationofalternativeprocessesfor themanufacturingofbio-jetfuel(BJF)intermediate Advanced
TABLE1 Levelofdifficultyforeachchapter. cont’d ChaptersLevel
18ProductionofdiethylcarbonatefromdirectCO2 conversion Advanced
19Multiplatformoptimizationonunitoperationand processdesigns Advanced
20FlexibledesignstrategyforprocesscontrollabilityAdvanced
dehydration)arealsoincludedinthisbook.Apartfromsteady-statemodeling, chaptersondynamicsimulationandprocesscontrollabilityarealsocovered.
Toassistreadersinbetterunderstanding,processsimulationfilesof allchaptersaremadeavailableonauthorsupportwebsite,whichisfound inthefollowingURL: https://www.elsevier.com/books-and-journals/bookcompanion/9780323901680.Foruniversityinstructors,thesolutionsfor variousexercisesineachchapterarealsomadeavailableinthepasswordprotectedauthorsupportwebsite: https://educate.elsevier.com/9780323901680, inwhichpermissiontoaccesswillbegrantedtouniversityinstructorswho adoptthebookfortheirlecture.
Itishopedthatthisbookwillserveasausefulguideforagoodlearning experienceinprocesssimulationknowledge.Havefuninyoursimulation exercises!
DominicC.Y.Foo updatedforsecondeditiononMay2022
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