Monte Carlo simulations of symmetric and asymmetric angular model liquids

Description

The thermodynamic analysis and structural properties of three angular models was presented. Monte Carlo simulations were performed to the fluids made of nonpolar angular αβγ molecules in the NVT ensemble. The first model presented is an angular model of propane. The second model consists of nonsymmetrical molecules and third molecule is a symmetric one. The results for the site-site correlation function was presented which is obtained from histograms of the site-site distances during the simulations.

Abstract

Dirección General de Enseñanza Superior PB98-0054, PB98-0326

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