Density functional theory for nonuniform polymers: Accurate treatment of the effect of attractive interactions

摘要

A density functional theory is presented for the effect of fluid-fluid and fluid-surface attractive interactions on the structure of polymers at surfaces. The theory treats the ideal gas free-energy functional exactly and uses a weighted density approximation for the hard chain contribution to the excess free-energy functional. The attractive interactions are calculated using the bulk fluid direct correlation function obtained from the polymer reference interaction site model theory. The predictions of the theory are in good agreement with computer simulation results for the density profiles of freely rotating fused-sphere chains at surfaces for a wide range of densities and temperatures. The results emphasize the importance of using different approximations for the hard sphere and attractive interactions in density functional theories for polymers. (C) 2003 American Institute of Physics. [References: 38]