A-,α-型締合流體的密度泛函理論.pdf

1、河北大學碩士學位論文A型締合流體的密度泛函理論姓名：劉東州申請學位級別：碩士專業(yè)：高分子化學與物理指導教師：王海軍20090601AbstractAbstractCombiningtheprincipleofstatisticalmechanics，onecomponentassociatinghard—spherefluidofAatypeconfinedintwoplanarhardwallsisstudiedbymeansofde

2、nsityfunctionaltheory(DFT)，andtheequilibriumdensityprofileisobtainedFurthermore，theinfluencesofrelevantparametersontheequilibriumdensityprofilearealsodiscussedThedissertationofMSdegreeismainlycomposedofthreechapters：Thef

3、irstchapter：SummarizationWecarryonasimplereviewofDFTandthemodifiedfundamentalmeasuretheory(MFMT)，andmakeadetailedsummarizationonthedevelopmentofDFTThesecondchapter：DFTforassociatinghardspherefluidTheeffectsofsomeparamete

4、rsontheeffectivechemicalpotentialandequilibriumdensityprofileforassociatingfluidareinvestigatedbytwodifferentmethodsAsaresult，iftheequilibriumconstantandfunctionalgrouparevaried，theequilibriumdensityprofileofassociatingh

5、ard—spherefluidwillalsochangeIndetail，thefactorssuchastheconversion，functionalityandpackingfractionaremainlyconsideredThethirdchapter：ProspectWepredictseveralpossibledevelopmentsoftheDFTontheassociatingfluidfromtheviewpo