Accurate Measurements of the Chemical Potential of Polymeric Systems by Monte-Carlo Simulation

Details Accurate Measurements of the Chemical Potential of Polymeric Systems by Monte-Carlo Simulation Accurate Measurements of the Chemical Potential of Polymeric Systems by Monte-Carlo Simulation

1994-04-13

arxiv.org/abs/cond-mat/9404035v1

Physics

Condensed Matter

12 pages Latex, Report Number #IP-94.127

Scientific paper

10.1063/1.467482

We present a new Monte-Carlo method for estimating the chemical potential of model polymer systems. The method is based upon the gradual insertion of a penetrable `ghost' polymer into the system and is effective for large chain lengths and at high densities. Insertion of the ghost chain is facilitated by use of an expanded ensemble in which weighted transitions are permitted between states characterising the strength of the excluded volume and thermal interactions experienced by the ghost chain. We discuss the implementation and optimisation of the method within the framework of the bond fluctuation model, and demonstrate its precision by a calculation of the finite-size corrections to the chemical potential.

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