ALTERNATIVE GIBBS ENSEMBLE MONTE-CARLO IMPLEMENTATIONS - APPLICATION IN MIXTURES

Authors
KRISTOF T LISZI J
Citation
T. Kristof et J. Liszi, ALTERNATIVE GIBBS ENSEMBLE MONTE-CARLO IMPLEMENTATIONS - APPLICATION IN MIXTURES, Molecular physics, 94(3), 1998, pp. 519-525
Citations number
13
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
94
Issue
3
Year of publication
1998
Pages
519 - 525
Database
ISI
SICI code
0026-8976(1998)94:3<519:AGEMI->2.0.ZU;2-G
Abstract
New versions of the Gibbs ensemble simulation for mixtures are suggest ed. Considerations are presented for producing all the possible Monte Carlo implementations of this technique. Using the new algorithms, vap our-liquid equilibrium data are determined for a binary Lennard-Jones mixture. The equivalence between the conventional and the new versions is established.