Journal of Chemical Physics, Vol.103, No.5, 1946-1956, 1995
Chemical-Potential and Equations of State of Hard-Core Chain Molecules
A novel approach is presented for the development of equations of state for chain molecules. The basic assumptions of the approach are supported by results of computer simulations of the chemical potential of athermal chains. Our model establishes a bridge between some elements of Wertheim’s thermodynamic perturbation theory and the generalized Flory theory. New equations of state are presented for freely jointed tangent hard-sphere chains which are shown to be more accurate than other existing equations. Extensions of our approach are also presented for branched polymers and blends of polymers.
Keywords:THERMODYNAMIC PROPERTIES;PERTURBATION-THEORY;SPHERE CHAINS;FLUIDS;SIMULATION;MIXTURES;POLYMERS;WALLS