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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 94, 1998 - Issue 3
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Original Articles

Alternative Gibbs ensemble Monte Carlo implementations: application in mixtures

Pages 519-525 | Published online: 03 Dec 2010
 

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.

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