| 本篇研究報告,在於探討運用全域最適化工具(alphaBB)來分析定溫定壓下多種混合物混合在一起是否會形成相分裂之研究報告。Calculationofphaseandchemicalequilibriaisoffundamentalimportanceforthedesignandsimulationofchemicalprocesses.MethodsofminimizingtheGibbsfreeenergyprovideequilibriumsolutionsthatarecandidatesonlyforthetrueequilibriumsolutionsthat,becausethenumberandtypeofphasesmustbeassumedbeforeGibbsenergyminimizationproblemcanbeformulated.Thetangentplanestabilityproblemsarechallengingduetohighlynonlinearthermodynamicfunctions.Thisworkdevelopsaglobaloptimizationapproachforthetangentplanestabilityproblemthatprovidesatheoreticalguaranteeaboutthestabilityofthecandidateequilibriumsolutionwithcomputationalefficiency.SelfAssociatedFluidTheoryEquationofStateisusedduetotheirabilitytoaccuratelypredictthebehaviorofnonidealvaporandliquidphasesacrossavarietyofcompounds.ThemathematicalformofthestabilityproblemwasanalyzedbypartiallydifferentiatingtheSAFTEOSbydensitysoastoobtainthedensitygradient.TheHessiananalysisofdensityandGibbsfreeenergywereidentifiedsoastosatisfythetheconditionoftheglobaloptimizationapproach.Computationalresultsonproblemswithfivetwo-componentsarepresented. |