RELAXATION OF A N-OCTANE FLUID

被引：99

作者：

WEBER, TA

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 70卷 / 09期

关键词：

D O I：

10.1063/1.438001

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：

This paper reports the results of a series of molecular dynamics calculations on a n-octane fluid at the normal density and several temperatures. The torsional interconversion between gauche and trans bonds has been investigated as a function of bond position and temperature. It is found that intermolecular interactions retard trans/gauche relaxation and appear to influence the trans/gauche ratio of the fluid. © 1979 American Institute of Physics.

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页码：4277 / 4284

页数：8

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