Alternative Gibbs ensemble Monte Carlo implementations: application in mixtures
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 equival...
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Published in | Molecular physics Vol. 94; no. 3; pp. 519 - 525 |
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Main Author | |
Format | Journal Article |
Language | English |
Published |
Taylor & Francis Group
01.06.1998
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Online Access | Get full text |
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Summary: | 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. |
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ISSN: | 0026-8976 1362-3028 |
DOI: | 10.1080/002689798168024 |