液体CH2Cl2和CHCl3分子旋转与平动动能的关系

M.W. Evans, M. Ferrario
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引用次数: 3

摘要

对液态CH2Cl2和CHCl3的“分子动力学”计算机模拟揭示了简单动能相关函数< v2(O)J2(t) > /(< v2(O) > < J2(O) >)的时间依赖性,其中v为m的线速度c, J为分子角动量。在传统的分析理论中,这对所有的t都是统一的常数,因此需要发展。在趋于平衡的过程中,变量v和J不是高斯的。
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The correlation of molecular rotational and translational kinetic energy in liquid CH2Cl2 and CHCl3

A “molecular dynamics” computer simulation of liquid CH2Cl2 and CHCl3 has revealed a time dependence of the simple kinetic energy correlation function 〈v2(O)J2(t)〉/(〈v2(O)〉〈J2(O)〉) where v is the c. of m. linear velocity and J the molecular angular momentum. This is constant at unity for all t in conventional analytical theory, which is therefore in need of development. The variates v and J are not Gaussian during the approach to equilibrium.

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