Computationally useful bridge diagram series. III. Lennard-Jones mixtures

Kippi Dyer, John Perkyns, B. Montgomery Pettitt

Research output: Contribution to journalArticle

13 Scopus citations

Abstract

The computationally useful bridge diagram series for the f-bond expansion and the h-bond expansion were calculated for a binary mixture of Lennard-Jones spheres. The Legendre polynomial integration methods were used in this method. Analysis of the thermodynamic and structural results indicated that accurate descriptions of higher order mixtures require methods beyond the current mean field treatments which are useful in simple fluids. For the pure fluid cases, the thermodynamic results were found to be in agreement with the simulation results.

Original languageEnglish (US)
Pages (from-to)9413-9421
Number of pages9
JournalJournal of Chemical Physics
Volume116
Issue number21
DOIs
StatePublished - Jun 1 2002

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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