FSD100MbP?h㈵>dk *dfffffr@м@ Frank EckertCOSMOlogic GmbH & Co KG%This is a simple Flash calculation with three alcohols methanol, ethanol and isopropanol, where activity coefficients are computed by the COSMOthermCO model vie CAPE-OPEN. COSMOthermCO is a liquid thermodynamic method based on molecular interactions computed by ab initio quantum chemistry.R#x temperaturepressure compositionflow CT-alcoholsڐ@'t+<< CT-alcoholsư>MbP?MbP?MbP?K%c:\werk\CO\COCO\bin\data\ChemSep1.pcdgMethanolCH3OHCH4O67-56-1COM@:^A?5?@?@ u@@ e@@ e@ {?@`@@ڤ?z?`T=@9`%;?VA3Y@H ALHA 8`•>@W 8 8 8dd@̔e@6??@? 8@ e@q@i`f^@@3.`U>@@ e@@e(A?-??@ e@@3 @j@3Ɍ@o2w?>9@@3c@d@̘@_?@@ e@y@ @3s-@ 1&@@qO?@הY@p@L0hC@?W@R`fq@p@h|@@ @vо@@ e@u@e Q> bJ?כi@M8@ 8n@@@f @O*@ڊ2`_b@z@K> C? [@@ 8q@b@f2@@@@qP?¾q@`fr@@#@@ M]h?58`U!>I@@@d 8 8 8 8 8 8 8Z7@ƫ@ ݔB 8 8`f>s@|@ @*? 8 8@ e@u@ 㥛 u@ X4?#~jL|sj1@G?G?Q?@?@֤? 8 8`?6?!S? k??@?@ڤ?D @z@)Տ?@?֤?EthanolCH3CH2OHC2H6O64-17-5CCON \@sWAA`?Q?u@c@c@ =@?G@ N ??@& =@#9pZ?@bA `!AnRA 8&g8@$ 8 8 8 \O@c@??G@fI? 8c@@3@ip^@ v- Գ>@c@"@e+xAs?Mb`@@Uc@@3@j`f@|`Ε?`24@c@d@@ 1?x]c@x@@@VN(@{>Pb@p@9@?IAa1pp@@@h`; @6@¤2@i@{@e࠻>(?-S@@3 8i@@@f`y;?^ ߿@^}p>c@`fv@?( 8`fq@@@fw*3@hF?`fq@`fr@@@?#Cw>I@@@d 8 8 8 8 8 8 8v6@@3N 8 8Hs@@3|@ l@ F`w? 8 8i@{@ vOjS)%寿#~j|4@kD>@G@?p?`I?@S@#? 8 8`I?`? :ё? 8c]?`I@ N ?ެp=@z@,(2?Q?#?~ Isopropanol CH3CH(OH)CH3C3H8O67-63-0CC(O)CP.@d*RA(?v?=6v@(g@(g@ P?I N@? G?` J=@T9?`A`A`⭤@A4TA 8`D 2@`8 8 8 8@ R@(g@k ? ?@? 8(g@@iz`@@ 0 '>@(g@@e!A`v@@3s%T'@`k(g@@joQ^@1w?` )?9@Q(g@d _q@M"@ ?GIQ(g@~@@@=Z(@ ϴ?hb@p@µ?W@5&pq@@@hF`f@` e>@@3kg@`6v@e@=> 1%?Q@f@Т. 8(g@@@f,ĿzH@ †I`?O;f@`fy@Рg?P?@ ) 8piq@G@f)+|=:v R? `>`fq@`6v@@c@@d? @a>I@@@d 8 8 8 8 8 8 8&6@@3)@V 8 8s@̔|@ @ B,@= ? 8 8@3kg@`6v@ `@UBݿ̤e@sajl+(?@p=@z@@z?^)?@@? 8 8R@Methanol/Ethanolimported from WILSON.IPD7$DL`Ethanol/2-Propanol p317 1/2cimported from WILSON.IPDn@Ethanol/2-Propanol p317 1/2cimported from WILSON.IPD18MdMethanol/Ethanol p60 1/2cimported from NRTL.IPDwg@Methanol/Ethanol p60 1/2cimported from NRTL.IPDoP_u@Ethanol/2-Propanol p317 1/2cimported from NRTL.IPDpEthanol/2-Propanol p317 1/2cimported from NRTL.IPD {mMethanol/Ethanol p55 1/2aimported from UNIQUAC.IPD8Methanol/i-Propanolimported from UNIQUACP.IPD x@Methanol/Ethanol p55 1/2aimported from UNIQUAC.IPDDk@Ethanol/2-Propanol p317 1/2cimported from UNIQUAC.IPDQ8?@Methanol/i-Propanolimported from UNIQUACP.IPDrJndEthanol/2-Propanol p317 1/2cimported from UNIQUAC.IPD {mMethanol/Ethanol p55 1/2aimported from UNIQUAC.IPD8Methanol/i-Propanolimported from UNIQUACP.IPD x@Methanol/Ethanol p55 1/2aimported from UNIQUAC.IPDDk@Ethanol/2-Propanol p317 1/2cimported from UNIQUAC.IPDQ8?@Methanol/i-Propanolimported from UNIQUACP.IPDrJndEthanol/2-Propanol p317 1/2cimported from UNIQUAC.IPDCH3OHCH2OHCH3OH?x?L7A`@@CH3ͪ?A`"? rh.@CH2M O?HzG?Zd;O ,@OH?333333?5^I 1@CH F%u?v/?K7 *@(\0@33333#o@Ʌ@Ԏ@33333#ǎc@CH2OH2-PropanCH3ͪ?A`"? rh.@OH?333333?5^I 1@CH2M O?HzG?Zd;O ,@ 2-Propanolx $( @ˡE@?5^I N@$@33333ks@33333t@fffff@|`p V瞯<activity.Dtemperatureactivity.Dtemperatureactivity.Dpressureactivity.Dpressureactivity.DmolFractionactivity.DmolFraction activityCoefficient.Dtemperature activityCoefficient.DtemperatureactivityCoefficient.DpressureactivityCoefficient.Dpressure activityCoefficient.DmolFraction activityCoefficient.DmolFraction CT-alcohols67-56-1Methanol@`@@@ u@CH4O CT-alcoholsMethanol64-17-5EthanolG@u@C2H6O CT-alcoholsEthanol67-63-0 IsopropanolI N@=6v@C3H8O CT-alcohols Isopropanol ????????????thermalConductivity.Dmoles?? / molexcessEnthalpy.Dpressure??gibbsFreeEnergy.Dpressure??viscosity.Dtemperature???? thermalConductivity.Dtemperature??activityCoefficientthermalConductivity.Dpressure??heatCapacity.DmolFraction??heatOfVaporization??enthalpy.Dmoles??density.Dpressure?@?@idealGasHeatCapacity.Dmoles?? / molmolecularWeight#logFugacityCoefficient.DmolFractionentropy.Dtemperature??viscosity.Dmoles???? / molidealGasEntropy?? volume.Dmoles@@@@vaporPressure.Dtemperature??logkvalues.Dtemperatureenthalpy??fugacity.Dtemperature??activity.DmolFractionexcessEnthalpy.Dtemperature??volume.Dpressure@@@@logkvalues.DpressuresurfaceTension.DmolFraction??idealGasEntropy.Dtemperature??heatOfVaporization.DmolFraction??kvalues.DmolFraction activityCoefficient.DtemperaturefugacityCoefficient.Dmoles / molgibbsFreeEnergy??gibbsFreeEnergy.DmolFraction??activity.Dmoles / molactivityCoefficient.Dmoles / molheatOfVaporization.Dpressure??enthalpy.DmolFraction??logFugacityCoefficiententhalpy.Dpressure??activitymolecularWeight.Dtemperature fugacityCoefficient.DmolFractionfugacity.Dpressuredensity?@?@volume.DmolFraction@@@@activity.Dtemperaturelogkvalues.Dmoles / molsurfaceTension.Dtemperature??thermalConductivity??density.DmolFraction?@?@surfaceTension??kvaluesheatCapacity.Dtemperature??#logFugacityCoefficient.DtemperatureexcessEnthalpy??fugacityCoefficient.Dpressureviscosity.DmolFraction????entropy.Dpressure??enthalpy.Dtemperature??idealGasHeatCapacity??surfaceTension.Dmoles?? / mol!idealGasHeatCapacity.DmolFraction??gibbsFreeEnergy.Dmoles?? thermalConductivity.DmolFraction??density.Dmoles?@?@ / molidealGasEnthalpy.Dtemperature??logFugacityCoefficient.Dmoles / molkvalues.Dtemperature logkvaluessurfaceTension.Dpressure??heatOfVaporization.Dtemperature??entropy.DmolFraction??entropy??volume@@@@heatCapacity.Dpressure??molecularWeight.DpressureidealGasHeatCapacity.Dpressure??gibbsFreeEnergy.Dtemperature??logkvalues.DmolFractionfugacityCoefficientkvalues.DpressureidealGasEnthalpy??viscosity.Dpressure?? logFugacityCoefficient.Dpressure fugacityCoefficient.Dtemperature heatCapacity??entropy.Dmoles??!idealGasHeatCapacity.Dtemperature??activityCoefficient.Dpressure viscosity???? activityCoefficient.DmolFractionexcessEnthalpy.Dmoles??heatOfVaporization.Dmoles??kvalues.Dmoles / molvolume.Dtemperature@@@@density.Dtemperature?@?@fugacity.Dmoles?? / molheatCapacity.Dmoles??molecularWeight.DmolFractionactivity.DpressureexcessEnthalpy.DmolFraction??molecularWeight.Dmoles / mol@&{BD25A684-3814-4212-84CD-76D752E106EE} Pressure drop??Pressure?? Heat duty?? Temperature??TotalMassBalancePropertiesFraction?? TotalFlowMass??iactivityactivity.Dmolesactivity.DmolFractionactivity.Dpressureactivity.DtemperatureactivityCoefficientactivityCoefficient.Dmoles activityCoefficient.DmolFractionactivityCoefficient.Dpressure activityCoefficient.DtemperaturebubblePointPressurebubblePointTemperaturedensitydensity.Dmolesdensity.DmolFractiondensity.Dpressuredensity.DtemperaturedewPointPressuredewPointTemperatureenthalpyenthalpy.Dmolesenthalpy.DmolFractionenthalpy.Dpressureenthalpy.Dtemperatureentropyentropy.Dmolesentropy.DmolFractionentropy.Dpressureentropy.DtemperatureexcessEnthalpyexcessEnthalpy.DmolesexcessEnthalpy.DmolFractionexcessEnthalpy.DpressureexcessEnthalpy.Dtemperaturefugacityfugacity.Dmolesfugacity.DmolFractionfugacity.Dpressurefugacity.DtemperaturefugacityCoefficientfugacityCoefficient.Dmoles fugacityCoefficient.DmolFractionfugacityCoefficient.Dpressure fugacityCoefficient.DtemperaturegibbsFreeEnergygibbsFreeEnergy.DmolesgibbsFreeEnergy.DmolFractiongibbsFreeEnergy.DpressuregibbsFreeEnergy.Dtemperature heatCapacityheatCapacity.DmolesheatCapacity.DmolFractionheatCapacity.DpressureheatCapacity.DtemperatureheatOfVaporizationheatOfVaporization.DmolesheatOfVaporization.DmolFractionheatOfVaporization.DpressureheatOfVaporization.DtemperatureidealGasEnthalpyidealGasEnthalpy.DtemperatureidealGasEntropyidealGasEntropy.Dtemperaturekvalueskvalues.Dmoleskvalues.DmolFractionkvalues.Dpressurekvalues.DtemperaturelogFugacityCoefficientlogFugacityCoefficient.Dmoles#logFugacityCoefficient.DmolFraction logFugacityCoefficient.Dpressure#logFugacityCoefficient.Dtemperature logkvalueslogkvalues.Dmoleslogkvalues.DmolFractionlogkvalues.Dpressurelogkvalues.DtemperaturemolecularWeightmolecularWeight.DmolesmolecularWeight.DmolFractionmolecularWeight.DpressuremolecularWeight.DtemperaturesurfaceTensionsurfaceTension.DmolessurfaceTension.DmolFractionsurfaceTension.DpressuresurfaceTension.DtemperaturethermalConductivitythermalConductivity.Dmoles thermalConductivity.DmolFractionthermalConductivity.Dpressure thermalConductivity.Dtemperature vaporPressurevaporPressure.Dtemperature viscosityviscosity.Dmolesviscosity.DmolFractionviscosity.Dpressureviscosity.Dtemperaturevolume volume.Dmolesvolume.DmolFractionvolume.Dpressurevolume.DtemperatureVapor CT-alcoholsVaporLiquid CT-alcoholsLiquid VaporLiquiddefaultdefault material template CT-alcoholsFeed % % % QCalcEquilibrium failed: calcEquilibrium failed: tp flash failed: failed to obtain logFugacityCoefficient or one of its derivatives from a calculation material for the Liquid phase: Failed to resolve compound "Methanol": index file "C:\Program Files\COSMOtherm-LITE-C21-0106\CTDATA-FILES\BP-TZVP-COSMO.csv" could not be opened for readingQPdefaultм@u@?Vﶤ??՟W??ev&??'0O?C~.3=?bv1_5?E?x0?ݛك?HD??$ؠվ?h=fa?B1=?I??#$9?I ?-3m?4Vw??՟W??ev&??'0O?u@м@?Vﶤ?2Liquid(H5(H((H  defaultм@,$߀u@r ׅ?;=Ok?z?iXAՂ?꾷?CiE0?J?|Fʙ?h@?we??zVp?XU?n??z?iXAՂ?꾷?CiE0?J?|Fʙ?2Vapor( :-(: ( (: @}Xdefaultм@2$߀u@uP?i?\@?Ye??֋zVp?,XU?al??\@?Ye??ՋzVp?,XU?al?@z?0XAՂ?꾷?^iE0?>J?|Fʙ?2Flash_1=Flash - seperate input stream into vapor and remaining phases%8BvRjCOUSCOUS0002 Pressure spec.Operation typeVBS; Pressure drop Pressure drop Pressure dropPressure Pressure drop Pressure drop\WIN? _BPressurePressure?м@ _B Heat spec.Operation type Heat duty Heat duty Heat duty TemperatureEnergy inlet streamVapor fraction Heat duty Heat duty@?@@@ _ _B Temperature Temperature?6$߀u@ _B TPOutletFlashTP Flash at outletThermo Version*Thermodynamics CAPE OPEN Interface version1.01.01.01.1Vapor fractionFlash vapor fractiontP?? 3-phase flash?3-phase flash: additional outlet port for lightest liquid phaseLast run+++ specifications +++ Pressure drop: 0 Pa Heat duty: 1000 W +++ optional parameters +++ Pressure: 101325 Pa Vapor fraction: 0.327411889793815 Temperature: 344.054477712535 K % , $not all material ports are connectedInletVaporLiquid   @$@@@@@@@@@@@@@ @@ @@ @ @@ @ @@ @ @@ @ @@ @?@@@333333?@ @(@solving Flash_1 MS Sans -C6?-C6?h㈵>-C6?U