Molecular dynamics simulation of the rate of dissociation and of the time of vibrational relaxation of diatomic molecules

被引：5

作者：

Kotov, D. V. ^{[1
]}

Surzhikov, S. T. ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Problems Mech, Moscow 117526, Russia

来源：

HIGH TEMPERATURE | 2008年 / 46卷 / 05期

关键词：

52.20.Hv; 52.65.Rr;

D O I：

10.1134/S0018151X08050039

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

A method is described for molecular dynamics calculation of the rate of dissociation and of the time of vibrational relaxation of N(2) and O(2) diatomic molecules, which involves simultaneous simulation of the entire ensemble of particles based on the classical concepts of the dynamics of molecules with internal degrees of freedom. Agreement between the calculation results and experimental data is discussed.

引用

页码：604 / 613

页数：10