Density Functional Theory For The Associating Fluid Of A_a Type

Combining the principle of statistical mechanics, one component associating hard-sphere fluid of Aa type confined in two planar hard walls is studied by means of density functional theory(DFT), and the equilibrium density profile is obtained. Furthermore, the influences of relevant parameters on the equilibrium density profile are also discussed.The dissertation of M.S.degree is mainly composed of three chapters:The first chapter:Summarization. We carry on a simple review of DFT and the modified fundamental measure theory(MFMT), and make a detailed summarization on the development of DFT.The second chapter:DFT for associating hard sphere fluid. The effects of some parameters on the effective chemical potential and equilibrium density profile for associating fluid are investigated by two different methods.As a result, if the equilibrium constant and functional group are varied, the equilibrium density profile of associating hard-sphere fluid will also change. In detail, the factors such as the conversion, functionality and packing fraction are mainly considered.The third chapter:Prospect. We predict several possible developments of the DFT on the associating fluid from the viewpoint of polymerization.