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ASPENPLUSE P
Thissectionisdevotedtoexamplereactionproblems.Theproblemsweretakenfromthe4th
EditionofElementsofChemicalEngineeringbyH.ScottFogler.Bothproblemscomefrom
Example122fromEssentialsofChemicalReactionEngineering,thefirstisanadiabaticreactor
andthesecondisaPFRwithconstantcoolingtemperature.Pleasenote,itisassumedthatthe
userknowshowtocreateaflowsheetandenterprocessconditions,sincetheseexamples
explainonlythevaluestoenterforeachinputwindow.

Example122a:AdiabaticProductionofAceticAnhydride
Jeffreys,inatreatmentofthedesignofanaceticanhydridemanufacturingfacility,statesthat
oneofthekeystepsisthevaporphasecrackingofacetonetoketeneandmethane:

CH3COCH3 CH2CO+CH4

Hestatesfurtherthatthisreactionisfirstorderwithrespecttoacetoneandthatthespecific
reactionratecanbeexpressedby

lnk=34.3434,222/T(E122.1)

wherekisinreciprocalsecondsandTisinKelvin.Inthisdesign,itisdesiredtofeed7850kgof
acetoneperhourtoatubularreactor.Ifthereactorisadiabatic,thefeedpureacetone,theinlet
temperature1035K,andthepressure162kPa(1.6atm),atubularreactorofwhatvolumeis
requiredfor20%conversion?

CreatingtheFlowsheet

Theflowsheetconsistsofoneinletstream,aPFR,andoneproductstream.Itshouldlooklike
this:

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CreateaflowsheetlikethisinASPENPLUSTM.Ifyoudonotknowhow,seeExample53.When
theflowsheetiscomplete,RequiredInputIncompleteshouldappearinthelowerrightcorner
ofthescreen.ClicktheNextbutton.ClickOKwhenpromptedtoEnterRequiredData.

EnteringProcessConditions

Thissectionwillexplainwhatvaluestotypeinforeachinputwindow.Ifyoudonotknowhowto
entervalues,changeunits,ornavigatethroughtheinputwindows,seeExample53.

Setup

1.Title:Enteranytitleyouwish.

Components

1.UnderComponentNametypethefollowinginacolumn:ACETONE,KETENE,METHANE
2.UnderCompIDtypeinanyidnamesfortheabovecomponents:A,K,C1
3.ClickNext

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Properties

1.FromthePropertymethodpulldownmenuselectSYSOP0
2.ClickNext.
3.ClickOKwhenpromptedaboutcontinuingenteringstreaminput.

Stream

1.Description:Enteranydescriptionofstream1.
2.Temp:1035K(changeunitsifnecessary)
3.Pres:1.6atm(changeunitsifnecessary)
4.Composition:ChangetoMASSFLOWKG/HR
5.ForamassflowrateofA(acetone)type8000.Leaveketeneandmethaneatzero(nomass
flowinreactantstream).
6.Total:ChangetoMASSFLOWandenter8000KG/HR
7.ClickNext.

Blocks

1.Description:EnteranydescriptionforPFR,perhapsAdiabaticPFR.
2.Type:ADIABATIC
3.Length:Needtoguessalength,3METERSisagoodstartingpoint.
4.Diam:Needtoguessadiameter,1METERisagoodstartingpoint.
5.ClickNext
6.Afteryoucreatethereactionset,additintheReactionstab

ReactionsStoichiometry

1.SelectNew...
2.ReactionName:enteranameforthereactionset
3.SelectType:LHHW
4.SelectOK
5.InStoichiometryselect:New
6.UnderRectants:selectacetonefromthecomponentspulldownmenuandsetthe
coefficientto1
7.UnderProducts:selectketeneandmethaneandsetbothcoefficientsto1
8.ClickNext.

ReactionsKinetic

1.Selectthereactionfromthepulldownmenu
2.ChangeReactingPhasetoVapor
3.Enter1.125fork
4.Enter1000KforTo
5.EntertheactivationenergyEoftheArrheniusequation,67999CAL/MOL.

k(s1)=8.2x1014exp(32,444/T)
(NotethatRismissinginthedenominator.)

ActivationEnergy=E=(32,444)(R)

E=(32,444)(1.987cal/molK)=67999cal/mol

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ReactionsKineticDrivingForce

1.UnderReactants:setacetoneexponentto1
2.UnderProducts:setketeneandmethaneexponentto0
3.Setconstantsto0
4.SelectTerm2fromthepulldownmenu
5.SetallExponentsandconstantsB,C,andDto0
6.SetconstantAto1000000
7.ClickNext.

RunningtheSimulationandInterpretingtheResults

ClickNextagainuntilyouarepromptedtorunthesimulation.ClickOK.Whenthesimulationis
complete,clicknextandchoosetoDisplayRunStatusresultsform.Ifyoudonotknowhowto
interprettheresultswindow,seeExample53.Otherwise,checktheconversion(X=moles
reacted/molesfed).DoesX=20%?IfX<20%,youmustincreasethelengthofthePFR.IfX>
20%,youmustdecreasethelengthofthePFR.

Inthiscasewherelength=3m,diam=1m,theconversionwasgreaterthan20%.Therefore,
youneedtogobacktothePFRandinputasmallerlength.YoumustaccesstheRplug.Main
windowtodothis.Ifyoudonotknowhowtoreenterinputs,seeExample53.

Thistime,tryalengthof2.6mwhileholdingthediameterconstantat1m.Whenyourerunthe
simulation,youwillfindthatX=20%!Finishinguptheexample,thevolumeofthePFRwith
thesedimensionsisV=2.04m 3.

Reference:G.V.Jeffreys,AProbleminChemicalEngineeringDesign:TheManufactureofAcetic
Anhydride,2nded.(London:InstitutionofChemicalEngineers,1964).

Example122b:OperationofaPFRwithHeatExchanger
WeagainconsiderthevaporphasecrackingofacetoneusedinExample122:

CH3COCH3 CH2CO+CH4

Thereactoristobejacketedsothatahightemperaturegasstreamcansupplytheenergy
necessaryforthisendothermicreaction(seeFigure).Pureacetoneentersthereactorata
temperatureof1035Kandthetemperatureoftheexternalgasintheheatexchangerisconstant
at1150K.Thereactorconsistsofabankofonethousand1in.schedule40tubes.Theoverall
heattransfercoefficientis110J/m2sK.Determinethetemperatureprofileofthegasdownthe
lengthofthereactor.

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CreatingtheFlowsheet

Usethesameflowsheetastheadiabaticexample.

EnteringProcessConditions

FollowinstructionsforSetup,Components,Properties,Stream,ReactionsStoichiometry,
reactionsKinetic,andreactionsKineticDrivingForce.Theonlychnagefromtheadiabatic
exampleisintheBlockinputdata.

Blocks

1.OntheSpecificationstab,changereactortypeto:Reactorwithconstantcoolant
temperature.
2.EntertheheattransferparameterU:110J/secsqmK.
3.Enterthecoolanttemperature:1150K
4.Length:Needtoguessalength,3METERSisagoodstartingpoint.
5.Diam:Needtoguessadiameter,1METERisagoodstartingpoint.
6.ClickNext.
7.IfthereactionsethasalreadybeenmadeadditintheReactionstab

Runthesimulation.Again,adjustthelengthuntiltheconversionisX=20%.Inthisexample,
theproperlengthwas1.8mwithadiameterof1m.ThusthevolumewasV=1.41m3.

TemperatureProfilesdowntheLengthofthePFR

ToseethetemperatureprofiledownthelengthofthePFR,dothefollowing:

1.Intheleftexplorerwindow,doubleclickonblocksandthenselectB1
2.Fromthemainfilemenu,selectPlotandthenPlotWizard
3.Inthewindowthatappears,hitnext,andthenselectTemperature.HitNext
4.Findthe"WhichXaxisvariablewouldyouliketoplut?"MarkthereactorLengthchoice.
Changeanyotheroptions(suchasunits)andwhenyouaredoneselectFinish.Youwill
seetheplotoftemperatureasafunctionofreactorlength.

Youshouldseeaplotofthetemperatureprofilethatlookslikethis:

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I.Introduction
II.AccessingASPENPLUS
III.CreatingaReactionEngineeringProcessModel
A.BuildingaProcessFlowsheet
B.EnteringProcessConditions

IV.RunningtheProcessModel
A.InterpretingtheResults
B.ChangingProcessConditionsandRerunningtheModel

V.OtherNeedtoKnows
A.SavingyourProcessModel
B.PrintingyourProcessModel
C.ChangingNamesofStreamsandUnitOperations
D.ChangingUnitsofParameters
E.ExitingASPENPLUS

VI.Credits
VII.ASPENModules

Chapter5Example53:DesignofaFullScaleTubularReactor(Tutorial,ASPEN
BackupFileAccessablefromDVD)

Chapter8SupplementalExample:PyrolysisofBenzene(Tutorial,ASPENBackup
FileAccessablefromDVD)

Chapter11Example113:AdiabaticLiquidPhaseIsomerizationofNormalButane
(Tutorial,ASPENBackupFileAccessablefromDVD)

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Chapter12Example122a:AdiabaticProductionofAceticAnhydride(Tutorial,
ASPENBackupFileAccessablefromDVD)

Chapter12Example122b:ConstantHeatExchangeProductionofAcetic
Anhydride(Tutorial,ASPENBackupFileAccessablefromDVD)

BacktoASPENPLUSTMMainPage

Fogler&Gurmen
2007UniversityofMichigan

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