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

Kippi Dyer, John Perkyns, Bernard Pettitt

Research output: Contribution to journalArticle

13 Citations (Scopus)

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
Externally publishedYes

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diagrams
Thermodynamics
thermodynamics
expansion
Fluids
Legendre functions
fluids
Binary mixtures
binary mixtures
Polynomials
simulation

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Computationally useful bridge diagram series. III. Lennard-Jones mixtures. / Dyer, Kippi; Perkyns, John; Pettitt, Bernard.

In: Journal of Chemical Physics, Vol. 116, No. 21, 01.06.2002, p. 9413-9421.

Research output: Contribution to journalArticle

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