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1、Calphad,Vol.26,No.2,pp.189-228,2002Pergamon02002PublishedbyElsevierScienceLtd0364-5916/02/$-seefrontmatterPII:SO364-5916(02)00035-4FactSageThermochemicalSoftwareandDatabasesC.W.Bale*,P.Chartrand*,S.A.Degterov*,G.Eriksson**,K.Hack**,R.BenMahfoud*,J.Melanqon*,A.D.Pelton*andS.Petersen***CRCT-Ce
2、nterforResearchinComputationalThermochemistryficolePolytechnique(UniversitCdeMontrtal),Box6079,StationDowntown,Mont&al,Qukbec,CANADAH3C3A7http://www.crct.polymtl.ca**GTT-Technologies,Kaiserstrasse100,52134Herzogemath,GERMANYhttp://gttserv.lth.rwth-aachende(ReceivedFebruary14,2002)AbstractThi
3、spaperpresentsasummaryoftheFactSagethermochemicalsoftwareanddatabases.FactSagewasintroducedin2001andisthefusionoftheFACT-Win/F*A*C*TandChemSage/SOLGASMIXthermochemicalpackagesthatwerefoundedover25yearsago.TheFactSagepackagerunsonaPCoperatingunderMicrosoftWindow?andconsistsofaseriesofinformat
4、ion,database,calculationandmanipulationmodulesthatenableonetoaccessandmanipulatepuresubstancesandsolutiondatabases.Withthevariousmodulesonecanperformawidevarietyofthermochemicalcalculationsandgeneratetables,graphsandfiguresofinteresttochemicalandphysicalmetallurgists,chemicalengineers,corros
5、ionengineers,inorganicchemists,geochemists,ceramists,electrochemists,environmentalists,etc.Inthisarticleemphasisisplacedonthecalculationandmanipulationofphasediagrams.HoweverthereputationofFactSagehasbeenestablishedmainlyinthefieldofcomplexchemicalequilibriaandprocesssimulationwherethesoftwa
6、rehasuniquecapabilities.Someofthesecapabilitiesarealsoshowninthispaper.02002PublishedbyElsevierScienceLtd.IntroductionFactSageisthefusionoftwowell-knownsoftwarepackagesinthefieldofcomputationalthermochemistry:FACT-Win(formerlyF*A*C*T)andChemSage(formerlySOLGASMIX).F*A*C*T-FacilityfortheAnaly
7、sisofChemicalThermodynamics-startedin,1976asajointresearchprojectbetweentwouniversities,McGillUniversity(W.T.Thompson)andtheEcolePolytechniquedeMont&al(C.W.BaleandA.D.Pelton).Theinitialprograms[77Pel]werewritteninFORTRANonpunchedcardsandperformedch
