The entropy loss on supercooling a liquid and anharmonic contributions

被引：41

作者：

Johari, GP ^{[1
]}

机构：

[1] McMaster Univ, Dept Mat Sci & Engn, Hamilton, ON L8S 4L7, Canada

来源：

JOURNAL OF CHEMICAL PHYSICS | 2002年 / 116卷 / 05期

关键词：

D O I：

10.1063/1.1431586

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：

Interdependence of the configurational, vibrational, and anharmonic-force contributions to the entropy of a liquid during its supercooling is investigated, and the effect of the anharmonic-force contribution to the entropy at constant pressure and constant volume conditions is analyzed. For realistic values of the Gruneisen parameter and expansion coefficient of a liquid, this contribution is found to be 30-40% of the heat capacity, which is high enough to affect the relation between the viscosity and excess entropy. An analysis of the resolved contributions to entropy of liquid selenium, an N-type liquid, shows that its configurational entropy is not proportional to its excess entropy. (C) 2002 American Institute of Physics.

引用

页码：2043 / 2046

页数：4

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