Entropy, pressure, and chemical potential of multiple chain systems from computer simulation. II. Application of the Metropolis and the hypothetical scanning methods.

As in the preceding paper (Paper I) we study here a model of chains with excluded volume enclosed in a ‘‘box’’ on a square lattice. The system is simulated by the Metropolis Monte Carlo method and the entropy is extracted from the samples by using the ‘‘hypothetical scanning method.’’ With this method each system configuration is treated as if it has been generated step by step with the scanning method (studied in Paper I). The transition probabilities are reconstructed and three approximations of the entropy are obtained. Thus the pressure and the chemical potential are calculated directly from the results of the entropy as in Paper I using standard thermodynamic relations. These results are found to be in a very good agreement with those obtained in Paper I, which are considered to be exact within the statistical error. [ABSTRACT FROM AUTHOR]