FSD100MbP?h㈵>d dfffffr@ 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.M CT-alcoholsڐ@'t+<< CT-alcoholsư>MbP?MbP?MbP?K2C:\Program Files\COCO\data\DefaultComponentLib.pcd;MethanolCH3OHCH4O67-56-1COM, @:^A?5?@?@ u@@ e@@ e@ {?@`@@ڤ?z?`T=@9`%;?VA3Y@H ALHA΀A`•>@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 8`?6? 8!S? k?¯?@?@ڤ?D @z@)Տ?@?֤?WEthanolCH3CH2OHC2H6O64-17-5CCON, \@sWAA`?Q?u@c@c@ =@?G@ N ??@& =@#9pZ?@bA `!AnRA@:}A&g|7@gs 8 8 8c@e@??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 8`I?`? 8 :ё? 8`X?`I@ N ?ެp=@z@,(2?Q?#?R Isopropanol CH3CH(OH)CH3C3H8O67-63-0CC(O)CP@d*RA(?v?=6v@(g@(g@ P?I N@? G?` J=@T9?`A`A`⭤@A4TAǂA`DT0@ Lc? 8 8 8(g@Xh@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 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@`@@ CT-alcoholsMethanol64-17-5EthanolG@ CT-alcoholsEthanol67-63-0 IsopropanolI N@ CT-alcohols Isopropanol volume.Dmoles@@ logFugacityCoefficient.Dpressureactivity.DtemperatureidealGasEntropy?enthalpy?activity.DmolFractionvolume.Dtemperature@@molecularWeight.Dmoles / mollogkvalues.Dpressure#logFugacityCoefficient.DtemperatureheatOfVaporization.Dmoles?excessEnthalpy.Dpressure?volume.DmolFraction@@thermalConductivity?#logFugacityCoefficient.DmolFractionheatOfVaporization.Dpressure?heatCapacity.Dtemperature?heatCapacity.DmolFraction? heatCapacity?entropy.Dmoles? activityCoefficient.DtemperaturesurfaceTension?logFugacityCoefficient.Dmoles / moldensity.Dpressure?@ activityCoefficient.DmolFractionactivity.DpressurethermalConductivity.Dpressure?molecularWeightgibbsFreeEnergy.Dpressure?fugacityCoefficient.Dmoles / moldensity?@surfaceTension.Dtemperature?surfaceTension.DmolFraction? logkvaluesheatOfVaporization.Dtemperature?gibbsFreeEnergy? fugacityCoefficient.Dtemperaturefugacity.DpressureexcessEnthalpy.Dmoles?activityCoefficient.Dpressureviscosity.Dtemperature??viscosity.Dpressure?surfaceTension.Dmoles? / molkvaluesidealGasHeatCapacity.Dpressure?idealGasEntropy.Dtemperature?heatOfVaporization.DmolFraction? fugacityCoefficient.DmolFractionenthalpy.Dmoles?activityCoefficient.Dmoles / molviscosity.DmolFraction??thermalConductivity.Dmoles? / molkvalues.Dmoles / molgibbsFreeEnergy.Dmoles?density.Dmoles?@ / molvolume@@logkvalues.Dmoles / molidealGasHeatCapacity.Dmoles? / molidealGasHeatCapacity?activityvolume.Dpressure@@ viscosity??fugacity.Dmoles? / molenthalpy.Dtemperature?surfaceTension.Dpressure?logkvalues.Dtemperature!idealGasHeatCapacity.Dtemperature?heatCapacity.Dmoles?excessEnthalpy.Dtemperature?enthalpy.DmolFraction?molecularWeight.Dpressurelogkvalues.DmolFractionkvalues.Dtemperature!idealGasHeatCapacity.DmolFraction?idealGasEnthalpy.Dtemperature?fugacityCoefficient.DpressureexcessEnthalpy.DmolFraction?entropy.Dpressure?enthalpy.Dpressure?density.Dtemperature?@kvalues.DmolFractionidealGasEnthalpy?heatCapacity.Dpressure?entropy?density.DmolFraction?@activityCoefficientactivity.Dmoles / molviscosity.Dmoles?? / molvaporPressure.Dtemperature? thermalConductivity.Dtemperature?molecularWeight.Dtemperaturekvalues.DpressuregibbsFreeEnergy.Dtemperature?fugacity.Dtemperature?excessEnthalpy?entropy.Dtemperature? thermalConductivity.DmolFraction?molecularWeight.DmolFractionlogFugacityCoefficientheatOfVaporization?gibbsFreeEnergy.DmolFraction?fugacityCoefficiententropy.DmolFraction?&{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 % % % NCalcEquilibrium failed: calcEquilibrium failed: tp flash failed: failed to obtain logFugacityCoefficient or one of its derivatives from a calculation material for the Liquid phase: Activity calculation failed: CTD file "C:\Programme\COSMOthermCO-LITE-C21-0107\CTDATA-FILES\BP_TZVP_C21_0106.ctd" does not exist or is not a regular fileQPdefaultм@u@?Vﶤ??՟W??ev&??'0O?F_Ū?4zTf?̴e?b-C6?U