自由旋转链末端距及其分布矩的模拟计算

THE SIMULATION CALCULATION OF END-TO-END DISTANCE AND DISTRIBUTION MOMENTS FOR FREELY JOINTED CHAINS

以一种模拟微观过程的模型、循环迭代的算法和快捷的程序来计算各种尺度高分子自由旋转链的均方末端距，并将计算结果与按统计力学式运算的结果进行比较，证实该模型特别适用于较短的碳链与任意键角的分子链。不仅与矢量运算方法相对应，而且为有内转链角限制的真实大分子链的复杂构象研究提出了一条新途径。

By using a simple numberic model and a fast computer program,simulation for meansquare moments of end-to-end distance of polymeric freely rotating chains is made.The results of calculation are used to compare with some data collected from the statistical mechanics.This model is convinience and reliable,and is ready to be applied in more complicated chains conformation systenis.