聚合物链的速度分布函数

S. Edwards, A. G. Goodyear
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引用次数: 16

摘要

聚合物分子的吉布斯分布隐含地包含了组成单体的速度和位置的相关函数。忽略势能的纯空间部分给出随机飞行分布;利用相空间问题的马尔可夫结构,计算速度相关函数。结果表明,该问题可以简化为特征函数问题,从而求解。相关函数的形式是(nu n1- nu n2)2=(2kT/m)(1-exp(-c mod n1-n2 mod))其中nu n1和n2是第n1和第n2个单体的速度c等于1。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The velocity distribution function for a polymer chain
The Gibbs distribution for a polymer molecule contains implicitly the correlation functions for velocity and position of the constituent monomers. The purely spatial part, ignoring potentials, gives the random flight distribution; the velocity correlation function is calculated, exploiting the markovian structure of the problem in phase space. It is shown that the problem can be reduced to an eigenfunction problem and hence solved. The form of the correlation function is quite accurately given by ( nu n1- nu n2)2=(2kT/m)(1-exp(-c mod n1-n2 mod )) where nu n1, nu n2 are the velocities of the n1th and n2th monomers and c equivalent to 1.
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