Journal of Chemical Physics, Vol.103, No.12, 5061-5069, 1995
Microscopic Approach to Inhomogeneous Polymeric Liquids
We discuss a liquid-state theory for the equilibrium structure of inhomogeneous polymeric liquids. The theory consists of an equation for the;density profile of a liquid in an external potential, which has been derived previously by density functional methods. In general, this equation must be solved by sim;lation techniques. However, if the chains are modeled as random walks-which is a reasonable approximation for flexible polymers,at mel densities-we show that the theory reduces to a set of coupled integral equations which can be solved;numerically. We present results for a single component liquid near a hard wall. Last, we show that, in the Gaussian thread limit, the theory reduces to a form that is very similar to Edwards-Helfand-Tagami "self-consistent field" theory. However, there are important differences between the two theories for multicomponent liquids (a blend for example) if the types of polymers are structurally dissimilar.
Keywords:DENSITY-FUNCTIONAL THEORY;INTEGRAL-EQUATION THEORY;POLYATOMIC FLUIDS;SLITLIKE PORES;RISM THEORY;MELTS;BLENDS;INTERFACES;MOLECULES;ALLOYS