Heat capacities of the dipolar Yukawa model polar fluid

Zoltán Máté, I. Szalai, D. Boda, Douglas Henderson

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The Stockmayer fluid is often used to describe a polar fluid. The dipolar Yukawa (DY) fluid is also a useful model for such fluids and is convenient for theoretical applications. Here we use the mean spherical approximation (MSA) and perturbation theory (PT) to study the heat capacities of the DY fluid model of a polar fluid and compare these results with Monte Carlo simulations for this model polar fluid. We find that the DY fluid shows the same features as the Stockmayer fluid does; demonstrating the utility of the DY fluid and further finding that the MSA and PT approaches give reasonably accurate results for the heat capacity.

Original languageEnglish
Pages (from-to)203-208
Number of pages6
JournalMolecular Physics
Volume109
Issue number2
DOIs
Publication statusPublished - Jan 20 2011

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Specific heat
Hot Temperature
specific heat
Fluids
fluids
perturbation theory
approximation

Keywords

  • heat capacity
  • mean spherical approximation
  • perturbation theory
  • polar fluid
  • Yukawa potential

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Biophysics
  • Molecular Biology

Cite this

Heat capacities of the dipolar Yukawa model polar fluid. / Máté, Zoltán; Szalai, I.; Boda, D.; Henderson, Douglas.

In: Molecular Physics, Vol. 109, No. 2, 20.01.2011, p. 203-208.

Research output: Contribution to journalArticle

Máté, Zoltán ; Szalai, I. ; Boda, D. ; Henderson, Douglas. / Heat capacities of the dipolar Yukawa model polar fluid. In: Molecular Physics. 2011 ; Vol. 109, No. 2. pp. 203-208.
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