VAPOR-LIQUID-EQUILIBRIA FOR 2 CENTER LENNARD-JONES DIATOMICS AND DIPOLAR DIATOMICS

被引：47

作者：

DUBEY, GS

OSHEA, SF

MONSON, PA

机构：

[1] UNIV LETHBRIDGE,DEPT CHEM,LETHBRIDGE T1K 3M4,ALBERTA,CANADA

[2] UNIV MASSACHUSETTS,DEPT CHEM ENGN,AMHERST,MA 01003

来源：

MOLECULAR PHYSICS | 1993年 / 80卷 / 04期

关键词：

D O I：

10.1080/00268979300102821

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Gibbs ensemble Monte Carlo simulations have been used to calculate vapour-liquid equilibria of diatomic and dipolar diatomic fluids. Dipolar two-centre Lennard-Jones diatomics with elongations L* = L/sigma between 0.33 and 1.00 have been studied for various values of dipole moments mu(d)* = mu(d)/(epsilonsigma3)1/2. The results for phase equilibrium are in good agreement with recent theoretical predictions based on cluster-expansion perturbation theory.

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页码：997 / 1007

页数：11

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