Pair correlation functions in mixtures of Lennard-Jones particles

Arieh Ben-Naim*, Raymond Mountain

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The pair correlation functions for a mixture of two Lennard-Jones particles were computed by both the Percus-Yevick equations and by molecular dynamics. The changes in the pair correlation function resulting from changes in the composition of the mixtures are quite unexpected. Essentially, identical changes are obtained from the Percus-Yevick equations and from molecular dynamics simulations. The molecular reason for this unexpected behavior is discussed.

Original languageEnglish
Article number214504
JournalJournal of Chemical Physics
Volume128
Issue number21
DOIs
StatePublished - 2008

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