Expanded grand canonical and Gibbs ensemble Monte Carlo simulation of polymers

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Abstract
A novel formalism is presented for simulation of polymers in expanded grand canonical and expanded Gibbs ensembles. Molecular creation and destruction attempts are replaced by transition attempts between states of a tagged chain of variable length. Results are presented for expanded grand canonical simulations of hard-core chain fluids in the bulk and in a slit pore and for expanded Gibbs ensemble simulations of vapor-liquid equilibria for square-well chains. (C) 1996 American Institute of Physics.