MELECULAR DYNAMICAL SIMULATION FOR VIBRATIONAL-TRANSLATIONAL ENERGY RELAXATION IN CONDENSED STATE

doi:10.6052/0459-1879-1993-5-1995-685

MELECULAR DYNAMICAL SIMULATION FOR VIBRATIONAL-TRANSLATIONAL ENERGY RELAXATION IN CONDENSED STATE[J]. Chinese Journal of Theoretical and Applied Mechanics, 1993, 25(5): 623-627. DOI: 10.6052/0459-1879-1993-5-1995-685

Citation:

MELECULAR DYNAMICAL SIMULATION FOR VIBRATIONAL-TRANSLATIONAL ENERGY RELAXATION IN CONDENSED STATE

Graphical Abstract

Graphical Abstract

Abstract

Abstract

本文利用分子动力学计算机模拟方法,研究了稠密态双原子分子振动-平动弛豫速率与分子离解能、密度和温度的关系。发现振动弛豫速率随着分子离解能的增高而下降。这一现象与由光谱数据得到的结果是一致的。它可以用振动频率的下降来解释;分子振动弛豫速率随密度增大而加快,在我们所作的范围内,似乎看不到弛豫速率与温度有关。