Chain polymer ensembles by computer simulation

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Abstract
Monte Carlo methods on the square and simple cubic lattices are used to study thermal and configurational properties of an equilibrium (polydisperse) ensemble of polymers which can undergo reversible chain growth and fracture. Phase transitions (continuous on the square lattice, discontinuous on the cubic lattice) to states with orientational order are observed for stiff polymers. The power-law dependence of the average square radius of gyration upon size is found to depend on both stiffness and temperature; in the low-temperature limit the effective Flory exponent approaches that which relates the average size to the radius of gyration averaged over all sizes. The average asphericity of the longest chains in our samples approaches that of isolated self-avoiding walks.

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