Thermodynamics and structural properties of the dipolar Yukawa fluid

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

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

We report computer simulations and a theoretical study of the thermodynamics and structure of a dipolar Yukawa system. A comparison between the analytical mean spherical approximation (MSA) solution, perturbation theory and Monte Carlo simulation data of pressure, internal energy and dielectric constant is given. In the perturbation theory, the MSA solution of hard core Yukawa fluid is used as a reference system. It was found that the MSA solution is reasonable only at lower dipole moments, while the perturbation theory gives good results at low and high values of dipole moment. Liquid-vapor coexistence data of dipolar Yukawa fluid are also obtained by Monte Carlo simulation and by both MSA and perturbation theory. It was found that at high dipole moments the liquid-vapor equilibrium disappears while chain-like structures appear in the low density fluid phase. The appearance of chain-like structures of dipolar Yukawa fluid is discussed in comparison with the Stockmayer fluid.

Original languageEnglish
Pages (from-to)337-344
Number of pages8
JournalThe Journal of Chemical Physics
Volume111
Issue number1
Publication statusPublished - Jul 1 1999

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Structural properties
Thermodynamic properties
Dipole moment
thermodynamics
perturbation theory
Fluids
fluids
dipole moments
approximation
reference systems
liquid-vapor equilibrium
data simulation
internal energy
Phase equilibria
Permittivity
computerized simulation
Vapors
Thermodynamics
vapors
permittivity

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Thermodynamics and structural properties of the dipolar Yukawa fluid. / Szalai, I.; Henderson, Douglas; Boda, D.; Chan, Kwong Yu.

In: The Journal of Chemical Physics, Vol. 111, No. 1, 01.07.1999, p. 337-344.

Research output: Contribution to journalArticle

Szalai, I. ; Henderson, Douglas ; Boda, D. ; Chan, Kwong Yu. / Thermodynamics and structural properties of the dipolar Yukawa fluid. In: The Journal of Chemical Physics. 1999 ; Vol. 111, No. 1. pp. 337-344.
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