The mean spherical approximation for a dipolar Yukawa fluid

Douglas Henderson, D. Boda, I. Szalai, Kwong Yu Chan

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

The dipolar hard sphere fluid (DHSF) is a useful model of a polar fluid. However, the DHSF lacks a vapor-liquid transition due to the formation of chain-like structures. Such chains are not characteristic of real polar fluids. A more realistic model of a polar fluid is obtained by adding a Lennard-Jones potential to the intermolecular potential. Very similar results are obtained by adding a Yukawa potential, instead of the Lennard-Jones potential. We call this fluid the dipolar Yukawa fluid (DYF). We show that an analytical solution of the mean spherical approximation (MSA) can be obtained for the DYF. Thus, the DYF has many of the attractive features of the DHSF. We find that, within the MSA, the Yukawa potential modifies only the spherically averaged distribution function. Thus, although the thermodynamic properties of the DYF differ from those of the DHSF, the MSA dielectric constant of the DYF is the same as that of the DHSF. This result, and some other predictions, are tested by simulations and are found to be good approximations.

Original languageEnglish
Pages (from-to)7348-7353
Number of pages6
JournalThe Journal of Chemical Physics
Volume110
Issue number15
Publication statusPublished - Apr 15 1999

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Fluids
fluids
approximation
Lennard-Jones potential
Yukawa potential
Distribution functions
Permittivity
Thermodynamic properties
thermodynamic properties
distribution functions
Vapors
vapors
permittivity
Liquids
liquids
predictions

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The mean spherical approximation for a dipolar Yukawa fluid. / Henderson, Douglas; Boda, D.; Szalai, I.; Chan, Kwong Yu.

In: The Journal of Chemical Physics, Vol. 110, No. 15, 15.04.1999, p. 7348-7353.

Research output: Contribution to journalArticle

Henderson, Douglas ; Boda, D. ; Szalai, I. ; Chan, Kwong Yu. / The mean spherical approximation for a dipolar Yukawa fluid. In: The Journal of Chemical Physics. 1999 ; Vol. 110, No. 15. pp. 7348-7353.
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