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CC-BATCH Tutorial
ThistutorialwalksyouthroughtheprocessofusingCCBATCHtosimulateabatch
distillationcolumn.
Thefollowingaredetailedspecificationsforthisproblem:
ThermodynamicSelections
ColumnSpecifications
K-value:PengRobinson
No.ofinternalstages:8
Enthalpy:PengRobinson
No.ofoperations:5
Internalstageholdup:0.01ft3
Condenserholdup:0.1ft3
Condenserpressure:14.7psia
Columnpressuredrop:2psia
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InitialChargeConditions
InitialChargeComposition(molefrac)
Temperature:Calculated
Pressure:16.7psia
VaporFraction:0atbubblepoint
Totalamountofcharge:
100lbmol
Propane: 0.1
N-Butane: 0.3
N-Pentane: 0.1
N-Hexane: 0.5
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OperatingStep1
OperatingStep2
Purpose:Propaneremoval
Purpose:Propaneremoval
Refluxratio:5
Refluxratio:20
Distillatemolarflowrate:2
Distillatemolarflowrate:2
Stopwhen:Distillatemole
fractionofNButaneis0.2
Stopwhen:Distillatemolefractionof
NButaneis0.985
Materialstobeaddedatstart:
None
Materialstobeaddedatstart:None
OperatingStep3
OperatingStep4
Purpose:Butaneproduction
Purpose:Pentaneremoval
Refluxratio:25
Refluxratio:15
Distillatemolarflowrate:2
Distillatemolarflowrate:2
Stopwhen:Accumulatormole
fractionofNButaneis0.99
Stopwhen:Distillatemolefractionof
NHexaneis0.2
Materialstobeaddedatstart:20
lbmolofmolefraction40%N
Butane/60%NHexane,atits
bubblepointat16.7psia
Materialstobeaddedatstart:None
OperatingStep5
Purpose:Pentaneremoval
Refluxratio:25
Distillatemolarflowrate:2
Stopwhen:Bottommolefraction
ofNHexaneis0.9998
Materialstobeaddedatstart:
None
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6. Specifypotcharge.
7. Specifythedistillationcolumn.
8. Defineoperatingsteps.
9. Runthesimulation.
10. Reviewtheresultsandprintasneeded.
Placing UnitOps
BeginbyplacingtheBatchColumnunitonthescreen.
1. OntheAllUnitOpspalette,clicktheBatchcolumntool(seeFigure1135)
andthenclickinthemainCHEMCADworkspace.Thebatchcolumnicon
appearswhereyouclicked.
2. ClicktheTanktool(seeFigure1136).Ontheworkspace,clicktotherightof
thebatchcolumntoplaceatankicon.Thenclickjustbelowthefirsttank,and
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clickagainbelowthesecondtank.Whenyouhaveplacedallthreetankson
theflowsheet,rightclicktodeactivatetheTanktool.
3. ClicktheProducttool(seeFigure1137)andinsimilarfashion,placethree
productarrowsontheflowsheet,eachonebelowandtotherightofatank
icon.RightclicktodeactivatetheProducttool.
Drawing Streams
NowthatalloftheUnitOpsareinplace,selecttheStreamtoolandconnecteach
tanksoutlettothenearestproductarrow.Thesearetheonlystreamsthatyouneed
forthistutorial.
Note:Inthissimulation,thebatchdistillationcolumntransfersproductstothetanks
baseduponbatchoperationparametersthatyouprovide.Streamconnections
betweenthecolumnandthetanksarenotnecessary,andareambiguousgiventhe
dynamicnatureofsuchstreams.
Rememberthateachstreammuststartataredoutletpointontheupstream
UnitOp,andendatablueinletpointonthedownstreamUnitOp.Toavoidhavingto
reselecttheStreamtooleachtime,makesurethatassoonasyouclicktocomplete
onestream,youmovethecursortothenextlocationandclicktostartthenext
stream.
Asyoudrawstreams,CHEMCADassignsstreamIDs,justasitassignedUnitOp
IDswhenyoucreatedthoseitems.ThelabelsforstreamIDsaredisplayedin
squares,todistinguishthemfromtheUnitOpIDsdisplayedincircles.
Atthispoint,theflowsheetshouldlooksimilartoFigure1134.
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Selecting Components
Nowyouneedtoidentifythecomponentstobeusedinthissimulation.Startby
selectingThermophysical>SelectComponents.
Forthisexample,youllchoosecomponentsfromthestandardCHEMCAD
database.IntheSelectComponentsdialogbox,findandaddeachneeded
component.
1. Holddownthe[CTRL]keyonyourkeyboardasyouclickeachofthe
followingcomponentsinturn:
Propane
NButane
NPentane
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NHexane
2. Clicktherightarrowbutton,locatedtotherightoftheAvailableComponents
area,toaddalloftheselectedcomponentstoyoursimulation.TheSelect
ComponentsdialogboxshouldnowlooklikeFigure1138.
3. SaveyourcomponentselectionsbyclickingOK.
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3. Ifthemethodisanactivitymodel,theprogramthenlooksattheBIP
databasetoseewhichmodelhasthemostdatasetsforthecurrentproblem.
ItthencalculatesthefractionalcompletenessoftheBIPmatrix.Ifthatfraction
isgreaterthantheBIPthresholdparameter,itusesthechosenactivity
method;ifnot,itusesUNIFAC.
TheThermodynamicsWizardisnoreplacementforengineeringjudgment.Thistool
usesanalgorithmbasedongeneralrules,andisthereforefallible.Thesuggested
modelmightnotalwaysbethebestmodelforthesystem.
Selectingthermodynamicoptionsbasicallymeansselectingamodelormethod
forcalculatingvaporliquid(orvaporliquidliquid)phaseequilibrium(calledtheK
valueoption)andselectingamethodormodelforcalculatingtheheatbalance(called
theenthalpyoption).Thecommandsfortheseselectionsarelocatedonthe
Thermophysicalmenu.
CHEMCADhasalibraryofdozensofKvaluemodelswithavarietyofoptions
andabout12enthalpymodels.Makingtheproperselectionfromtheselibrariescan
sometimesbedifficult.Forthepurposesofthistutorial,assumethatyouwanttouse
thePengRobinsonmethodforboththeKvalueandenthalpycalculations.Follow
thesestepstoselectyourthermophysicaloptions:
1. AcceptthedefaulttemperatureandpressurerangesintheThermodynamics
WizardandclickOK.
2. ClickOKagaintoacceptthewizardssuggestedmethodofSRK.
3. WhentheThermodynamicSettingsdialogboxopens,findtheGlobalK
ValueOptionselection,intheupperleftcorneroftheKValueModelstab.
ThecurrentsettingisSRK,butforthepurposesofthetutorial,youllneedto
selectthePengRobinsonmodel.Clickthedownarrowattherightendofthe
selectionboxtoviewalonglistofKvaluechoices,thenclickPeng
Robinson.
Figure 11-39: The new K-value selection in the Thermodynamic Settings dialog box
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4. NowclicktheEnthalpyModelstab.ThePengRobinsonmethodhasalready
beenenteredastheGlobalEnthalpyOptionsselection;thiswasdone
automaticallybecauseyouchosePengRobinsonasyourKvaluemethod.
Whileyoudohavetheoptiontooverridethischoice,inthiscaseyoullneed
tokeepthePengRobinsonmodel;leaveallsettingsastheyareandclickOK
toreturntothemainCHEMCADworkspace.
Forthepurposeofthistutorial,thethermodynamicselectionsarenowcomplete.
Note:WhileyouarenotrequiredtousetheThermodynamicsWizard,youshould
knowhowtouseit,ifonlyasastartingpointforyoursimulations.Youcanrevisit
thewizardatanytimebyselectingThermophysical>ThermodynamicsWizard.
TheTempF,Prespsia,VaporFraction,andEnthalpyMMBtu/hfieldsare
thethermodynamicpropertiesofthecharge.AccordingtotheGibbsPhaseRule,
onceamixturescompositionisgiven,specifyinganytwoofthesefour
thermodynamicpropertieswilldefinetheothertwo.Assuch,definingthe
composition,temperature,andpressureforamixtureuniquelydefinesits
vaporfractionandenthalpy.Alternatively,definingthecomposition,
pressure,andenthalpywilluniquelydefinethemixturestemperatureand
vaporfraction.
Sinceenthalpiesarecalculatedrelativetoadatum,thecalculationofany
givenenthalpyisaninvolvedprocesswhichispronetoerrors.Forthis
reason,CHEMCADdoesnotpermityoutoenterenthalpyasaconstraint.
Inadditiontodefiningthepotcomposition,youmustdefineexactlytwoof
thefollowingproperties:temperature,pressure,andvaporfraction.Thetwo
variablesthatyouspecifywilldisplayasredtext,whilethethirdvariable
andthevalueenthalpywillbedisplayedinblackwhenyouflashthecharge.
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TheTotalflowunitandCompunitfieldsworktogethertoprovideavariety
ofwaystodefinechargecomposition.Iftheselectedcompunitismole,mass,
orvolumefraction(eithergloballyorlocally),thentheTotalflowunit
selectionisavailable.Iftheselectedcompunitisanamountoption,thenthe
totalchargebecomesthesumofthecomponentquantities,andtheTotal
flowunitselectionisnotavailable.
IftheCompunitfieldselectionisanamountunit(asopposedtoafractional
unit),thenthecomponentchargevaluesareautomaticallyaddedasyou
enterthem.ThecurrentsumisdisplayedintheTotalflowfield.
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YoucanclicktheFlashbuttonatanytimetoperformaflashcalculation
usingthecurrentlyspecifiedcompositionandthermodynamicproperties.
Thisenablesyoutoobtainflashcalculationsquicklyandwithoutleavingthe
dialogbox.
Fractionsthatdonotaddupto1.0areautomaticallynormalizedwhenyou
eitherclickFlashorexitthedialogbox.
Withtheserulesandbehaviorsinmind,enterthedataforyourpotcharge:
1. DoubleclickthebatchcolumntoopentheEditBatchChargedialogbox.
2. InthePrespsiafield,type16.7,thenpress[TAB]andtype0intheVapor
Fractionfield.
Note:Itsimportantthatyouactuallytypea0overtheexisting0entryintheVapor
Fractionfield.ThistellsCCBATCHthatyouarechoosingtospecifyavapor
fraction.
3. IntheCompunitfield,selectmolefrac.Youcannowtypeavalueof100in
theTotalflowfield.
4. Type0.1inthePropanefield,andtheninsimilarfashion,typethefollowing
numbersinthecorrespondingfields:
NButane:0.3
NPentane:0.1
NHexane:0.5
5. ClickOKtosavethischargeinformationandcontinue.
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MakethefollowingentriesontheGeneraltabofthisdialogbox:
Numberofstages:8
Numberofoperationsteps:5
Stageholdup:.01
Condenserholdup:1
Condpressure:14.7
Colmpresdrop:2
Whenyouhaveenteredtheseparameters,clickOKtosavethedataand
continue.
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Inthisdialogbox,youlldefinetheparametersforeachoperatingstepofthe
batchcampaign.Beforeyoubegin,youneedtounderstandhowCCBATCHhandles
tankassignments.
TheProductassignmentfieldsidentifytheaccumulatortowhichaproductor
decantstreamwillbesent.Youcanusethisoptionevenifyoudonotplacetankson
theflowsheet;simplydesignatingaUnitOpIDnumberissufficient.Inthiscase,its
importantthatyoudesignateaUnitOpIDthatisnotalreadyinuse.
SinceCCBATCHpermitsvaporliquidliquiddistillation,theremaybetwo
liquidphasesinthecondenser,possiblygivingrisetodecantingofonephaseorthe
other.TheDistillateTank#fieldentryrepresentsthetankthataccumulatesthe
distillate.TheDecanterTank#fieldentryrepresentsthetankthataccumulatesthe
decantedliquid,ifany.
Operating Step 1
Foroperatingstep1,makethefollowingentriesintheBatchOperationParameters
dialogbox:
ChangetheStartupoptionfieldto1Startwithtotalreflux.
IntheProductassignmentarea,enter2intheDistillatetank#field.
IntheFirstspecvaluefield,enter5asthevalueoftherefluxratio.
IntheSecondspecvaluefield,enter2.
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IntheOperationstepstopoptionsarea,settheStopwhenoptiontoDistillate,
settheMeasuredvariableoptiontoMolefraction,andenter0.2intheStop
valuefield.IntheComponentfieldthatnowappears,select2NButane.
IntheMin.runtimefield,enter0.5.
Whenyouhavemadetheseentries,clickOKtomoveontothenextoperating
step.
Operating Step 2
Foroperatingstep2,makethefollowingentriesintheBatchOperationParameters
dialogbox:
Enter2intheDistillatetank#field.
Enter20intheFirstspecvaluefieldand2intheSecondspecvaluefield.
StoptheoperationwhenthemolefractionofNButaneinthedistillateis
0.985.
Whenyouhavemadetheseentries,clickOKtomoveontothenextoperating
step.
Operating Step 3
Followthesestepsforoperatingstep3:
1. MakethefollowingentriesintheBatchOperationParametersdialogbox:
Enter3intheDistillatetank#field.
Enter25intheFirstspecvaluefieldand2intheSecondspecvaluefield.
StoptheoperationwhenthemolefractionofNButaneinthe
accumulatoris0.99.
2. ClicktheAdditionalSettingstab.Hereyouwillspecifytheadditionof20
molesofmixturetothepot,withacompositionof40%butaneand60%
hexane.ChecktheAddmaterialtopotboxandthenclickOKtobringupthe
EditBatchChargedialogbox.
3. InthePrespsiafield,type16.7,thenpress[TAB]andtype0intheVapor
Fractionfield.
4. Enterthefollowingcompositionsettings:
SettheCompunitfieldtomolefrac.
Enter0.6intheNButanefield.
Enter0.4intheNHexanefield.
Enter20intheTotalflowfield.
5. ClickOKtocontinuetothenextoperatingstep.
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Operating Step 4
Foroperatingstep4,makethefollowingentriesintheBatchOperationParameters
dialogbox:
Enter4intheDistillatetank#field.
Enter15intheFirstspecvaluefieldand2intheSecondspecvaluefield.
StoptheoperationwhenthemolefractionofNHexaneinthedistillateis0.2.
IntheMin.runtimefield,enter0.5.
Whenyouhavemadetheseentries,clickOKtomoveontothefinaloperating
step.
Operating Step 5
Foroperatingstep5,makethefollowingentriesintheBatchOperationParameters
dialogbox:
Enter4intheDistillatetank#field.
Enter25intheFirstspecvaluefieldand2intheSecondspecvaluefield.
StoptheoperationwhenthemolefractionofNHexaneintheresidual
chargeatthebottomofthecolumnis0.9998.
IntheMin.runtimefield,enter0.5.
Whenyouhavemadetheseentries,clickOKtocontinue.
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Forthisexample,thedefaultdisplayaplotofdistillatemolefractionsforall
fourcomponentsiswhatyouwant,soclickOKtobringuptheBatchDistillation
menu.
Thismenuprovidesaccesstotheentryscreensforalldefinedoperationsteps,as
wellasoptionsforinserting,deleting,andcopyingoperationsteps.Youmightwant
toreviewtheoperatingstepsandverifyyourentriesbeforerunningthesimulation.
Whenyouarefinished,clicktheExitbuttontoclosethemenu.
Errormessagesmustbefixedbeforethesimulationcanproceed.Under
specificationofthebatchcolumnwouldbeanexampleofthistypeoferror.
Warningmessagesareusuallyinputomissions,whichmayormaynotcause
problemsuponexecution.Thesearenonfatalerrorsthatdonotnecessarily
needtobecorrectedpriortosimulation.
Assumingthatyoucorrectlyspecifiedthepotchargeandsubsequentoperation
steps,youshouldseenomessages;theprogramwillproceeddirectlytothe
calculation.
Youwillseethedistillatemolefractionsplottedonthescreeninaplotwindow.
Eachtimetheprogramproceedstothenextoperatingstep,anewplotwindowwill
open,alongwithanewtabatthebottomofthemainCHEMCADworkspace.
Duringtherun,onlythecurrentstepsplotisvisible.Whenthesimulationis
finished,thedynamicplotwillquitscrollingandaRunfinishedmessagewillappear
atthefarleftendoftheCHEMCADstatusbar.
Aftertherun,youcanviewtheplotforaparticularoperatingstepbyclicking
thecorrespondingtabatthebottomoftheCHEMCADworkspace.Tocloseany
plotstab,clicktheClosebutton(markedwithanX)onthetab.Tocloseallofthe
plottabsatthesametime,selectWindow>CloseAllCharts.
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4. ClickOKtoviewthecompositeplot,whichshouldresembleFigure1146.
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Revieworprinttheresultsasneeded,andthenclosetheplottabtoreturntothe
simulation.
Operatingstepresults
Batchcolumnhistory
Finalbatchcolumnholdup
Becauseyouwantareportwithabroadrangeofinformationaboutyour
simulation,usetheConsolidatedReportoption.
1. SelectReport>ConsolidatedReporttobringuptheConsolidatedReport
menu.
2. ClickBatch/DynamicResultstoopentheBatch/DynamicOptionsdialog
box.SelectthefirstthreeoptionsPrintoperationresults,Printhistory,and
Printfinalholdups.
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3. ClickOKtoreturntotheConsolidatedReportmenu.
4. Togeneratethereport,clickCalculateandGiveResults.Thereportdisplays
inaseparatewindow,withaformatsuitableforprinting.Youcanedit,save,
andprintthereportasneeded.
5. Whenyoufinishreviewingandworkingwiththereport,closethereport
windowtoreturntothemainCHEMCADworkspace.
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