THE MELTING LINE OF THE WEEKS-CHANDLER-ANDERSON LENNARD-JONES REFERENCE SYSTEM

被引：25

作者：

DEKUIJPER, A

SCHOUTEN, JA

MICHELS, JPJ

机构：

[1] Van der Waalslaboratory, University of Amsterdam, 1018 XE Amsterdam

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 93卷 / 05期

关键词：

D O I：

10.1063/1.458833

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：

The purpose of this paper is to study the role of repulsive and attractive forces on the melting behavior of simple substances. The melting line of the purely repulsive Weeks-Chandler-Anderson Lennard-Jones reference system is calculated by Monte Carlo simulation. Comparison with the full Lennard-Jones system shows that attraction causes a constant shift of the melting line along the temperature axis. The pressure or temperature dependence of the calculated melting discontinuities ΔV and ΔH is compared with the equations recently obtained by van der Putten and Schouten. © 1990 American Institute of Physics.

引用

页码：3515 / 3519

页数：5

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