Equation of state of athermal lattice chains in three dimensions

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Abstract
Monte Carlo simulations of athermal chains on a simple cubic lattice are used to determine the equation of state over the full range of densities for chains of 5, 10, 20, and 40 segments. In the short chain/low density simulations, the pressure is computed from the test-chain insertion probability. For n=20 (at high density) and n=40, we use the recently devised repulsive wall method. Our results indicate that Bawendi and Freed’s correction to mean-field theory represents a significant improvement over Flory–Huggins theory in the low density regime. Various aspects of scaling behavior and polymer–wall interactions are examined.