MONTE-CARLO SIMULATION OF LIQUID NORMAL-ALKANES .1. INTRAMOLECULAR STRUCTURE AND THERMODYNAMICS

被引：37

作者：

ALMARZA, NG ^{[1
]}

ENCISO, E ^{[1
]}

BERMEJO, FJ ^{[1
]}

机构：

[1] CSIC,INST ESTRUCTURA MAT,E-28006 MADRID,SPAIN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 96卷 / 06期

关键词：

D O I：

10.1063/1.462798

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 conformational properties of liquid n-alkanes (ranging from n-pentane to n-decane) have been investigated using Monte Carlo computer simulation techniques. The method of simulation combines the "reptation" method with a scheme of preferential sampling, which leads to an improvement of the simulation efficiency. The change of internal properties and structure as an effect of the density is studied.

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页码：4625 / 4632

页数：8

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