HYDRODYNAMIC CALCULATION OF THE FREQUENCY-DEPENDENT FRICTION ON THE BOND OF A DIATOMIC MOLECULE

被引：13

作者：

MISHRA, B ^{[1
]}

BERNE, BJ ^{[1
]}

机构：

[1] COLUMBIA UNIV, CTR BIOMOLEC SIMULAT, NEW YORK, NY 10027 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 103卷 / 03期

关键词：

D O I：

10.1063/1.469826

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：

In this paper molecular hydrodynamics is used to calculate the dynamic friction on the intramolecular vibrational coordinate of a homonuclear diatomic molecule dissolved in a simple liquid. The predicted dynamic friction is then compared to recent computer experiments. Agreement with the experimental dynamic function is obtained when the linearized hydrodynamics is modified to include Gaussian viscoelasticity and compressibility. The hydrodynamic friction on the bond appears to agree qualitatively very well, although quantitative agreement is not found at high frequencies. Various limits of the hydrodynamic friction are discussed. (C) 1995 American Institute of Physics.

引用

页码：1160 / 1174

页数：15

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