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1、Pure&Appl.Chem.,Vol.62,No.1,pp.71-78,1990.PrintedinGreatBritain.@1990IUPACThermodynamicmodellingofsolutionphasesandphasediagramcalculationsI.ANSARALabratoiredeThermodynamiqueetPhysico-ChimieN€tallurgiques,ENSEEG,BP75,384.02SaintMartind'HBresC€dex,France.ABSTRACTInrece
2、ntyears,thedevelopmentofphasediagramcalculationsformulticomponentsystemsusingathermodynamicapproachhasprovedtobeveryimportantinresolvingindustrialproblems.Thisdevelopmentisismainlyduetotheprogressinthedescriptionofthethermodynamicbehaviourofsolutionphasesparticularlyo
3、falloysandtoadvancesincomputersoftware.Realisticstatisticalmodelshavebeendevelopedtotakeintoaccountchemicalorderinginsolutionphases.Moreover,methodsofpredictingthermodynamicstabilitiesfromfundamentalphysicalcalculationshavebeendevelopedwhichprovideasounderbasisforthet
4、hermodynamicdescriptionofmetastablephases.Thesignificantprogressinthemodellingofthethermodynamicpropertiesofsolutionphasesispresentedtogetherwithsomeexamplesofevaluatedandassessedphasediagrams.INTRODUCTIONThestudyofphasediagramshaslongbeenanimportanttoolinthedevelopme
5、ntofscienceandtechnology.Inmetallurgy,ithasmadeamajorcontributiontothedesignofnewalloys,partlyduetoconsiderableimprovementsinexperimentaltechniqueswhichhavereachedahighlevelofaccuracy.However,withincreasingdemandsofnewhightechnologicalmaterials,whicharegenerallycomple
6、x,itisimportantthattheoreticalpredictionsguidetheworkofmaterialsscientists.Onesuchpossibilityistoapplytheprinciplesofphysical-chemistryinordertocomputemulticomponentandmultiphaseequilibria.Suchanapproachcanbeverypowerfulinbothplanningandalsoreducingconsiderablythenumb
7、erofcostlyexperiments.AfterthepioneeringworkofMeijering(ref.l),followedbytheimportantcontributionsofKaufman(ref.21,greatprogresshasbeenobserved,sincethe"NBSWorkshoponPhaseDiagrams",intheapplicationofcalculatedphasediagramgeneratedfromtheunderlyingthermochemicaldata.Th
8、isisduemainlytotheimprovementofmodelsforthesolutionphases,andanincreasingamountofreliableandconsistentassesseddataisnowbeing
