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ProdeProperties

Propertiesofpurefluidsandmixtures,multiphaseequilibria,
processsimulation,software
Title:phaseenvelope,diagram,curve,curves,naturalgasdewpoint,hydrate
formation,ExcelMatlabMathcadsoftware
Downloadthefreestudentedition,includesboth32and64bit
versionsforMicrosoftWindows

Documentation,includessoftwareinstallationanddetailed
descriptionwithapplicationexamples

Doyouneedassistanceorwishtodiscussapplications?
ContactProde

Applicationexample:vaporliquidliquidphaseenvelope
ProdePropertiescancalculatedifferenttypesofphasediagrams
vaporliquidphaseenvelope/phasediagram.
vaporliquidliquidphaseenvelope/phasediagram.
vaporliquidsolidphaseenvelope/phasediagram.
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ProdePropertiesallowstocreatethediagramsdirectlyinExcel,Matlab,Mathcad,Prime
oranycompatibleapplicationincludingcustomsoftware.
Definitions
DewPoint,givenaequilibriumpressuretheDewPointTemperatureisthe
maximumtemperatureinVLEarea
BubblePoint,givenaequilibriumpressuretheBubblePointTemperatureisthe
minimumtemperatureinVLEarea
CrcondenBar,CricondenBarPressureisthemaximumpressureinVLEarea
Crcondentherm,Cricondenthermtemperatureisthemaximumtemperaturein
VLEarea

StepbyStepinstructiontocreateaphasediagramwithExcel/
Matlab/Mathcad
Firststep:definethestream(components,compositionsetc.)
PropertiesincludesaStreameditorwhichpermitstoaccessallinformations(as
compositions,operatingconditions,models,options)forallstreamswhichyouneedto
define,toaccesstheStreameditorfromExcelPropertiesmenuselectEditProperties

TheStreameditorincludesseveralpages,fromthefirstpageyoucanselectastream
(Propertiescanstoreallthestreamsrequiredtodefineamediumsizeplant)solvea
seriesofflashoperationsandseetheresultingcompositionsinthedifferentphases,in
thispageselectthestreamyouwishtodefine,forexamplethefirst.

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Inthesecondpageyoucandefineanewcompositionormodifyanexistingcomposition,
inthisexamplewedefineC10.7CO20.15H2S0.15asmolarfractions

Inthethirdpageyoucandefinethepackage(thermodynamicmodelsandrelated
options),herewedefineAPISoaveRedlickKwong.

ThefourthpageprovidesaccesstoBIP(BinaryInteractionParameters)forthedifferent
models,youcanenterspecificvaluesorclickon"LoadBIPs"buttontogetthe
predefinedBIPsfromdatabank.

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Finallywemustsavethenewdata,inthefirstpageclickon"Save"button,notethat
youcanredefinethenameofthestreamasyouwish(editingthecellnearthebutton
"Save"),youcandefine/modifymanystreamsfollowingtheproceduredescribed.
Oncedefinedthestreamyoumaywishtodefinetheunitswhichwewishtoutilizeinour
problem,instreameditorgothentothe"Units"dialog

hereyoucanselecttheunitswhichyouneedforaspecificproblem,inthisexamplefor
thepressure(firstrow)selectBar.a,noticethatunitfortemperatureisK(butyoucan
settheunitswhichyouprefer)thenclickonOkbuttontoacceptnewvaluesandleave
thePropertieseditor.
NowyouarereadytousePropertiesforcalculatingallthepropertieswhichyouneed,
howeverthereisstillalastthingtodoifyoudonotwishtolosealldatawhenleavinga
Excelpage,preciselytosavedatatoafile,tosavedatatoafilefromExcelProperties
menuselect"SaveaArchive"

thenselectthefile"def.ppp"ifyouwishthatPropertiesutilizesthisdataasdefault(this
isthenormal,recommendedoption),differentlysetadifferentname(youcanfor
exampledefinedifferentnamesfordifferentprojects)butyouwillneedtoloadthat
specificArchivebeforetomakecalc'sforthatprojectandsinceExcelreloadsProperties
withanynewpagethismayresulttedious...
Propertiessavesonthefilealsotheunitsofmeasurementsoyoucandefinedifferent
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streamsanddifferentunitsindifferentprojects.

Nowyoucancalculateallthepropertieswhichyouneedwiththeunitswhichyouprefer
forallthestreamsdefinedinthatproject.

Secondstep:generateavaporliquidliquidphaseenvelopein
Excel.
Forgeneratingthephaseenvelopewe?lluseapredefinedExcelpagedistributedwith
ProdeProperties,fromExcelmenuFile>open,inExcelfolder(ProdeProperties
installation)selectthefilephasenv.xls

ThispagecontainsalittleVBAcodetotranferthecalculatedequilibriumvalues(forthe
differentvaporliquid,liquidliquidvapor,vaporliquidliquidlines)fromProdeProperties
toExcel,ifrequiredyoucaneasilymodifythecodeforprintingaseriesoflineswith
specifiedliquidorvaporfraction.Toprintaphaseenvelopeyoumustdefinethestream
(weselectthefirststream,whichwedefinedwithcompositionC10.7CO20.15H2S
0.15,SRKasmodelandmultiphasevapor+liquidoption,themultiphaseoptioninstructs
theproceduretogenerateavaporliquidliquidphaseenvelope)wespecify0.3valuefor
liquidfraction,finallyclickonthebutton"calculatephasediagram".
Propertiesdoesalltheworkandthecalculatedequilibriumpointsincludingcritical
points,cricondenthermandcricondenbarareprintedinExcelpageforyouranalysis.

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Thephaseenvelopeforthismixtureshowsathreephasearea(noticethesecondline
neartheliquidliquidvaporbubblelineandthethirdliquidvaporliquidline

ThecalculatedvaluesforCriticalPoints,CricondenBarandCricondenThermareavailable
inExcel.
NotethatProdePropertiescalculatestheTRUEcriticalpoints(nottheestimatedvalues),
ProdePropertiesincludesaproprietaryprocedurebasedonGibbsminimizationmethod.
theprocedureallowstospecifyanyvalue(from0dewlineto1bubbleline)for
phasefractions,herebelowtheexampleofalinewith0.05liquidfraction.

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TheVaporLiquidLiquidphaseenvelopeconstitutestheidealtooltoinvestigatethe
phaseequilibriaformixturesofhydrocarbons+water
Theexampleshowsthephaseenvelopefora12components(hydrocarbons+water)
mixture,noticethelargethreephaseareawhereliquidwaterispresent.

Notethatevensimplecompositionscanshowacomplexbehaviour,herebelowisthe
exampleofthemixturewithcompositionMethane0.9H2S0.1modelAPISoaveRedlick
Kwong.
Thebubblelineisathreephase(liquidliquidvapor)line,avaporliquidlineconnects
theendoftheliquidliquidvaporlinewithcriticalpoint,thedewlinedoesn'tstopat
criticalpointbutcontinues,thebluelineshowsaliquidfractionof0.05

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NotethatProdePropertiesincludesmethodsforcalculatingcriticalpoints,CricondenBar
andCricondenTherminExcelcells,seetheparagraph"Methodsforthermodynamiccalc?
s"inoperatingmanualforthedetails.
methodsStrPc()andStrTc()returnsthecriticalpressure(ortemperature)ofthe
nth(from1to5)criticalpointfound.
methodsStrCBp()andStrCBt()returnsthepressure(ortemperature)ofthe
CricondenBar(theequilibriumpointwithmaximumpressure).
methodsStrCTp()andStrCTt()returnsthepressure(ortemperature)ofthe
CricondenTherm(theequilibriumpointwithmaximumtemperature).

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Togetthevalueofcriticalpressureenterthemacro=StrPc(1,1)where(1,1)refersto
thestream1andfirstcriticalpointdetected,weenterthismacroinB1,inB2weenter
themacro=StrTc(1,1)tocalculatethecriticaltemperatureinthesameway,incellsB3
andB4weenterthemacros=StrCBp(1)forCricodenBarpressureand=StrCTt(1)for
CricodenThermtemperature.

Thephaseenvelopeforthismixture(Methane0.999nButane0.001)showsuptofour
saturationpointpressuresatthesametemperature

Observethedewline,theredlinebelowthecriticalpoint,thereareuptothreedifferent
equilibriumpointsatthesametemperature(theareaaround190K),ifyouaddthe
saturationpointonthebubbleline(blackline)wehaveatotaloffoursaturationpoint
pressuresatagiventemperature,tocalculatethepointsonthedewlineweusethe
method:
doublep=PfTF(integerstream,doublet,doublepf,intstate,intn)
IncellB1wedefineavaluefortheequilibriumtemperature(190.208K),thenincells
B2,B3,B4weenterthemacros
=PfTF(2,B1,0,1,1)
=PfTF(2,B1,0,1,2)
=PfTF(2,B1,0,1,3)
wherethefirstvalue(2)isthestreamwhichwedefined,thesecond(cellB1)represents
thetemperature,thethird(0)isthephasefraction(with0wespecify0%liquidora
pointondewline,thesamewouldbebysettingthestateasgasandphasefractionas
1.0)thefourth(1)isthestate(inProperties0=gas,1=liquid,2=solid)andthelast
istherequiredposition(werequirethepoints13alongthedewline)
ForadditionalinfrmationabouthowtocalculateequilibriumpointsgotothepageDew
PointsNaturalGasHydrocarbons

PrintaphaseenvelopeinMatlab.
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Forcalculatingandprintingthephaseenvelopewe?lluseapredefinedscriptdistributed
withProdeProperties,inMatlabcommandlinetype
>>phaseenvelope(1)
where(1)isthenumberofstream.

ProdePropertieswillcalculatethephaseenvelopeandprinttheresultonMatlab,ifyou
wishtoobtainadditionalpropertiesascricondentherm,cricondenbarorcriticalpoints
justenterthenameofPropertiesmethodinMatlab,forexample
>>StrPc(1)
willreturnthetruecriticalpressureofstream1.

ProdeProperties,technicalfeaturesoverview(Windows
version)
EntirelywritteninC++(sincefirstedition,1993)
Upto100differentstreamswithupto50componentsperstream(usercan
redefine)
SeveralcompilationsofchemicaldataandBIPsareavailable,theusercanadd
newcomponentsandBIPs
Proprietarycompilationwithdataformorethan1600chemicalsand
30000BIPs
flexibledatabaseformat(supportforupto30differentcorrelations)
workswithallmajourstandardsincludingDIPPR.
Comprehensivesetofthermodynamicmodels,baseversionincludes
Regular
Wilson
NRTL
UNIQUAC
UNIFAC
SoaveRedlichKwong(standardandextendedversionwithparameters
calculatedforbestfittingofvaporpressure,densityandenthalpy)
PengRobinson(standardandextendedversionwithparameters
calculatedforbestfittingofvaporpressure,densityandenthalpy)
BenedictWebbRubin(Starling)BWRS
SteamTablesIAPWS95
ISO18453(GERG2004)
ISO20765(AGA8model)
LeeKesler(Plocker)LKP
CPACubicPlusAssociation(SRKandPRvariants)
Hydrates(CubicPlusAssociation,VanDerWaalsPlatteeuw)
additionalmodelsasPitzer,NRTLforelectrolytesolutions,PCSAFT(with
association),GERG(2008)etc.
vanderWaalsandcomplexmixingrulestocombineequationsofstatewith
activitymodels
HuronVidal
WongSandler(WS)
Michelsen(MHV2)
Tassiosetal.(LCVM)
BaseandExtendedEOSversionswithparameterscalculatedtofitexperimental
datafromDIPPRandDDB
Selectableunitsofmeasurement
Procedureforsolvingfluidflowincludingmultiphaseequilibriaandheattransfer
Procedureforsolvingstagedcolumns
Rigoroussolutionofdistillationcolumns,fractionations,absorbers,
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strippers...
Procedureforcalculatinghydrateformationtemperatureandhydrateformation
pressure
hydratephaseequilibriabasedondifferentVanDerWaalsPlatteeuw
models
Procedureforsolvingpolytropiccompressionwithphaseequilibria
Huntingtonmethodforgasphase
Proprietarymethodforsolvingapolytropicprocesswithphaseequilibria
Procedureforsolvingisentropicnozzle(safety,reliefvalvewithsingleandtwo
phaseflow)
HEM,HomogeneousEquilibrium
HNEDS,HomogeneousNonequilibrium
NHNE,NonhomogeneousNonequilibrium
Procedureforsimulatingfluidflowinpiping(pipelines)withheattransfer
BeggsandBrillandproprietarymethodsforsinglephaseandmultiphase
fluidflowwithheattransfer
ProcedureforfittingBIPtomeasuredVLE/LLE/SLEdatapoints(data
regression)
ProcedureforfittingBIPtoVLEvaluescalculatedwithUNIFAC
Functionsforsimulatingoperatingblocks(mixer,gasseparator,liquidseparator)
**
Functionsforaccessingcomponentdataindatabase(theusercandefinemixing
rules)
gas/vaporliquidsolidfugacityplusderivativesvs.temperaturepressure
composition
gas/vaporliquidsolidenthalpyplusderivativesvs.temperaturepressure
composition
gas/vaporliquidsolidentropyplusderivativesvs.temperaturepressure
composition
gas/vaporliquidsolidmolarvolumeplusderivativesvs.temperaturepressure
composition
FlashatBubbleandDewpointspecificationsandP(orT)
Flashatgiventemperature(T)andpressure(P)multiphasevaporliquidsolid,
isothermalflash
FlashatgivenphasefractionandP(orT),solvesupto5differentpoints
Flashatgivenenthalpy(H)andPmultiphasevaporliquidsolid,includes
adiabaticflash
Flashatgivenenthalpy(H)andTmultiphasevaporliquidsolid,includes
adiabaticflash
Flashatgivenentropy(S)andPmultiphasevaporliquidsolid,includes
isentropicflash
Flashatgivenentropy(S)andTmultiphasevaporliquidsolid,includes
isentropicflash
Flashatgivenvolume(V)andPmultiphasevaporliquidsolid,includesisochoric
flash
Flashatgivenvolume(V)andTmultiphasevaporliquidsolid,includesisochoric
flash
Flashatgivenvolume(V)andenthalpy(H)multiphasevaporliquidsolid
Flashatgivenvolume(V)andentropy(S)multiphasevaporliquidsolid
Flashatgivenenthalpy(H)andentropy(S)multiphasevaporliquidsolid
Rigorous(True)criticalpointplusCricondenthermandCricondenbar
Completesetofpropertiesfordifferentstates
gasdensity
vapordensity
liquiddensity
soliddensity
gasIsobaricspecificheat(Cp)
vaporIsobaricspecificheat(Cp)
liquidIsobaricspecificheat(Cp)
gasIsochoricspecificheat(Cv)
vaporIsochoricspecificheat(Cv)
liquidIsochoricspecificheat(Cv)
gascp/cv
liquidcp/cv
Gasheatingvalue
GasWobbeindex
GasSpecificgravity
gasJouleThomsoncoefficients
vaporJouleThomsoncoefficients
liquidJouleThomsoncoefficients
gasIsothermalcompressibility
vaporIsothermalcompressibility
liquidIsothermalcompressibility
gasVolumetricexpansivity
vaporVolumetricexpansivity
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liquidVolumetricexpansivity
gasSpeedofsound
vaporSpeedofsound
liquidSpeedofsound
vapor+liquid(HEM)Speedofsound
gasViscosity
vaporViscosity
liquidViscosity
gasThermalconductivity
vaporThermalconductivity
liquidThermalconductivity
gascompressibilityfactor
vaporcompressibilityfactor
liquidSurfacetension

Typicalapplications
FluidpropertiesinExcel,Matlab,MathcadandotherWindowsandUNIX(**)
applications
Thermodynamics,physical,thermophysicalproperties
Processsimulation
Heat/MaterialBalance
ProcessControl
ProcessOptimization
EquipmentsDesign
Separations
InstrumentsDesign
Realtimeapplications
petroleumrefining,naturalgas,hydrocarbon,chemical,petrochemical,
pharmaceutical,airconditioning,energy,mechanicalindustry

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