Temperature and density extrapolations in canonical ensemble Monte Carlo simulations

Preprint

14 June 1999

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/9906202

Abstract

We show how to use the multiple histogram method to combine canonical ensemble Monte Carlo simulations made at different temperatures and densities. The method can be applied to study systems of particles with arbitrary interaction potential and to compute the thermodynamic properties over a range of temperatures and densities. The calculation of the Helmholtz free energy relative to some thermodynamic reference state enables us to study phase coexistence properties. We test the method on the Lennard-Jones fluids for which many results are available.

Keywords

TEMPERATURES AND DENSITIES
CANONICAL ENSEMBLE MONTE
THERMODYNAMIC PROPERTIES
MONTE CARLO SIMULATIONS
DENSITY EXTRAPOLATIONS
ENSEMBLE MONTE CARLO

All Related Versions

Version 1, 1999-06-14, ArXiv
Published version: Physical Review E, 61 (2), 1195.

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