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Scanning Simulation Procedures for Calculation of the Entropy, the Pressure, and the Chemical Potential of Many-Chain Systems

  • Hagai Meirovitch (a1)

Abstract

Using two simulation techniques, the scanning and the hypothetical scanning methods we study a system of many chains with excluded volume contained in a “box” on a square lattice. With these methods the value of the sampling probability P of a configuration is known and therefore the entropy S can be calculated (S ∼ In P) without the need to resort to thermodynamic integration. Thus, the pressure and the chemical potential can be obtained with high accuracy directly from the entropy using standard thermodynamic relations. Our simulation results are compared to the approximate theories of Flory, Huggins, Miller and Guggenheim and to the recent improved theories of Freed and coworkers.

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Scanning Simulation Procedures for Calculation of the Entropy, the Pressure, and the Chemical Potential of Many-Chain Systems

  • Hagai Meirovitch (a1)

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