Equation of state for chain molecules: Continuous-space analog of Flory theory

Abstract

New, accurate equations of state for fluids of chain molecules are derived as generalizations of the well-known Flory and Flory–Huggins lattice theories to continuous space. Comparison with the results of new Monte Carlo simulations of athermal chains (freely jointed hard disks and spheres), extending over a wide range of densities, reveals that the generalized Flory–Huggins equation of state provides an accurate prediction for the pressure.