Parsons-Lee theory and a simulation-based study of two-dimensional hard-body fluids

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13 Citations (Scopus)

Abstract

The Parsons-Lee theory is aipplied for both two-dimensional hard convex and non-convex linear bodies. The equation of state, the location and the order of the isotropic-nematic phase transition are determined. Considering the system of planar spherocylinders new NpT ensemble Monte Carlo simulation data are also given for the packing fraction dependence of pressure. Although the virial-expansion of the equation of state is unsatisfactory from the third to fifth order, the agreement between the simulation and the Parsons-Lee theory is quite reasonable.

Original languageEnglish
Pages (from-to)11-21
Number of pages11
JournalJournal of Molecular Liquids
Volume85
Issue number1-2
Publication statusPublished - Apr 2000

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body fluids
Body fluids
Equations of state
equations of state
data simulation
simulation
Phase transitions
expansion
Monte Carlo simulation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Atomic and Molecular Physics, and Optics

Cite this

Parsons-Lee theory and a simulation-based study of two-dimensional hard-body fluids. / Varga, S.; Szalai, I.

In: Journal of Molecular Liquids, Vol. 85, No. 1-2, 04.2000, p. 11-21.

Research output: Contribution to journalArticle

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