| [1] | ʱ����,���Ҷ�,�����,��.����ѧ�����ֲᡷ[M].����:��ѧ��ҵ������,1996. | | [2] | PRETELEJ ,LOPEAPA ,BOTTINISB ,etal.Computer-aidedmoleculardesignofsolventsforseparationprocesses[J].AIChE.1994,40(8):1349-1360 | | [3] | KRUMMENM ,GRUBERD ,GMEHLINGJ .Mea surementofactivitycoefficientsatinfinitedilutioninsolventmixturesusingthedilutortechnique[J].IndEngChemRes,2000,39(6):2114-2123 | | [4] | PIEROTTIGJ ,DEALCH ,DERREL .Activitycoefficientsandmolecularstructure[J].IndEngChem,1959,51(1):95. | | [5] | PREDENSLUNDA ,JONESRL ,PRAUSNITZJM .Group-contributionestimationofactivityco efficientsinnonidealliquidmixtures[J].AIChE.1975,21:1086- | | [6] | TOCHIGIK ,TIEGSD ,GMEHLINGJ ,etal.DeterminationofnewASOGparameters[J].JChemEngJapan,1990,23(4):453-463. | | [7] | THOMASER ,ECKERTCH .Predicationoflim itingactivitycoefficientbyamodifiedseparationofcohesdiveenergydensitymodelandUNIFAC [J].IndEngChemProDesDev,1984,23(1):194. | | [8] | FREDENSLUNDA ,GMEHLINGJ ,RASMUSSENP .Vaper-LiquidEquilibriaUsingUNIFAC [M],Amsterdam:Elsevier,1977. | | [9] | WEIDLICHU ,GMEHLINGJ .AmodifiedUNI FACmodel.1.predictionofVLE ,hEand�á�[J].IndEngChemRes,1987,26(7):1372-1381. | | [10] | LARSENBL ,RASMUSSENP ,PREDENSLUNDA .AmodifiedUNIFACgroup-contributionmodelforpredictionofphaseequilibriaandheatsofmix ing[J].IndEngChemRes,1987,26(11):2274-2286. | | [11] | HANSENHK ,RASMUSSENP ,PREDENSLUNDA ,etal.Vapor-liquidequilibriabyUNIFACgroupcontribution.5.revisionandextension[J].IndEngChemRes,1991,3(10):2352-2355. | | [12] | GMEHLINGJ ,LIJ ,SCHILLERM .AmodifiedUNIFACmodel.2.presentparametermatrixandresultsfordifferentthermodynamicproperties[J].IndEngChemRes,1991,32(1):178-193. | | [13] | VOUTSASE ,TASSIOSDP .Predictionofinfinite-dulutionactivitycoefficientsinbinarymixtureswithUNIFAC .Acriticalevaluation[J].IndEngChemRes,1996,35(4):1438-1445. | | [14] | LOHMANNJ ,JOHR ,NIENHAUSB ,etal.Revi sionandextensionofthegroupcontributionmethodmodifiedUNIFAC [J].ChemEngTechnol,1998,21(3):245-248. | | [15] | GMEHLINGJ ,LOHMANNJ ,JAKOBA ,etal.AModifiedUNIFAC (Dortmund)model.3.revisionandextension[J].IndEngChemRes,1998,37(12):4876-4882. | | [16] | KLEIBERM ,AXMANN ,JK .Evolutionaryalgo rithmsfortheoptimizationofmodifiedUNIFACpa rameters[J].ComputChemEng,1998,23(1):63-82. | | [17] | GEYERH ,ULBIGP ,SCHULZS .Useofevolu tionaryalgorithmsforthecalculationofgroupcont ributionparametersinordertopredictthermodyna icproperties[J].ComputChemEng,1999,23:955-973. | | [18] | ������,������,�߽���,��.���������ӽṹ���,[I]���ӹ��ɻ��ŵ�ȷ��[J].�������Ӧ�û�ѧ,1998,15(5):298-302. | | [19] | GANIR ,BRIGNOLEEA .MoleculardesignofsolventsforliquidextractionbasedonUNIFAC[J].FluidPhaseEquilibria,1983,13(1):331. | | [20] | BRIGNOLEEA ,BOTTINIS ,GANIR .Astrate gyforthedesignandselectionofsolventsforsepa rationprocesses[J].FluidPhaseEquilibria,1986(1),29:125-132. | | [21] | GANIR ,NIELSENB ,PREDENSLUNDA .Agroup-contributionapprochtocomputer-aidedmoleculardesign[J].AIChE.1991,37(9):1318-1332 | | [22] | VENKATASUBRAMANIANV ,CHANK ,CA RUTHERSJM .Computer-aidedmolecularde signusinggeneticalgorithms[J].ComputChemEng,1994,18(9):833-840. | | [23] | VENKATASUBRAMANIANV ,CHANK ,SUNDARAMA ,etal.DesigningMoleculeswithgeneticalgorithms.fourthinternationalconferenceonfoundationsofcomputed-aidedprocessdesign[A].AIChESymposiumSeries[C],1995,304(91):270. | | [24] | MARCOULAKIEC ,KOKOSSISAC .Onthede velopmentofnovelchemicalusingasystematicsynthesisapproach.part��.optimisationframework[J].ChemEngSci,2000,55(14):2529-2546 | | [25] | MARCOULAKIEC ,KOKOSSISAC .Onthede velopmentofnovelchemicalsusingasystematicsynthesisapproach.part��.solventdesign[J].ChemEngSci,2000,55(14):2547-2561. | | [26] | PETERSENR ,PREDENSLUNDA ,RASMUSSENP .Artificialneuralnetworksasapredictivetoolforvapor-liquidequilibrium[J].ComputChemEng,1994,18(Supple):S63-S67. | | [27] | BONZAP ,BRAUNB ,JANOWSKYR .Applica tionofQuantitativestructure-performancerela tionshipandneuralnetworkmodelsforthepredic tionofphysicalpropertiesfrommolecularstructure[J].IndEngChemRes,1998,37(8):3043-3051. | | [28] | BONZAP ,BRAUNB ,JANOWSKYR .Quantitivestructure-propertyrelationshipsandneuralnet works:corrlationandpredictionofphysicalproper tiesofpurecomponentsandmixturesfrommolecu larstructure[J].FluidPhyaseEquilibria,1999,158-160:367-374. | | [29] | ESPINOSAG ,YAFFED ,COHENY ,etal.Neuralnetworkbasedquantitativestructuralpropertyrela tion(QSPR)forpredictionboilingpointsofali phatichydrocarbons[J].JChemInfComputSci,2000,40(3):859-879. | | [30] | SHARMAR ,SINGHALO ,GHOSHR ,etal.Po tentialapplicationofartificialneuralnetworkstothermodynamics:vapot-liquidequilibriumpredic tion[J].ChemEng,1999,2(3):385-390. | | [31] | ALVAREZE ,RIVEROLC ,CORREAJM ,etal.Desingofacombinedmixingruleforthepredictionofvapor-liquidequilibriausingneuralnetworks[J].IndEngChemRes,1999,38(4):1706-1711. | | [32] | ILIUTAMC ,ILIUTAI,LARACHIF .Vapor-liquidequilibriumdataanalysisformixedsolvent-electrolytesystemsusingneuralnetwokrmodels[J].ChemEngSci,2000,55(15):2813-2825. | | [33] | ENGELHAMTHL ,JURSPC .Predictionofsu percriticalcarbondioxidesolutilityoforganiccom poundsfrommolecularstructure[J].J.ChemInfComputSci,1997,37(2):478. | | [34] | ������,�ܳ���,����ƽ,��.�����˹������緽��Ԥ��������������[J].����ѧ��,1998,49(2):245-250. | | [35] | ������,���Ļ�,������.�÷�������ָ��������Ԥ����������PVT����[J].����ѧ��,1999,50(5):709-713. | | [36] | CASTELLSCB ,EIKENSDI,CARRPW .Headspacegaschromatographicmeasurementsoflimitingactivitycoefficientsofelevenalkanesinorganicsolventsat25��[J].JChemEngData,2000,45(2):369-375 |
|
2002, Vol. 19 
