CALCULATION OF THE ENTROPY OF LIQUID CHLORINE AND BROMINE BY COMPUTER-SIMULATION

被引：105
作者：
ROMANO, S
SINGER, K
机构：
[1] UNIV SOUTHAMPTON,DEPT CHEM,SOUTHAMPTON SO9 5NH,HAMPSHIRE,ENGLAND
[2] UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
来源：
MOLECULAR PHYSICS | 1979年 / 37卷 / 06期
关键词：
D O I：
10.1080/00268977900101311
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 method of Widom [1] has been used to calculate the chemical potential of liquid chlorine and bromine in Monte Carlo simulations based on the two Lennard-Jones centres potential. The agreement between the computed and experimental entropies and vapour pressures over the range T*1 to 1.8 is satisfactory. © 1979 Taylor & Francis Group, LLC.
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页码：1765 / 1772
页数：8
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