Alternative Gibbs ensemble Monte Carlo implementations: application in mixtures
- 20 June 1998
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 94 (3) , 519-525
- https://doi.org/10.1080/00268979809482344
Abstract
New versions of the Gibbs ensemble simulation for mixtures are suggested. Considerations are presented for producing all the possible Monte Carlo implementations of this technique. Using the new algorithms, vapour-liquid equilibrium data are determined for a binary Lennard-Jones mixture. The equivalence between the conventional and the new versions is established.Keywords
This publication has 2 references indexed in Scilit:
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- Monte Carlo simulations at constant chemical potential and pressureThe Journal of Chemical Physics, 1993