自由结合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

作　　者：高东[1] 黄积涛[1] 曹爱丽[1] 

机构地区：[1]天津理工学院机械工程系,天津理工学院化学工程系

出　　处：《天津理工学院学报》1995年第1期28-31,共4页Journal of Tianjin Institute of Technology

摘　　要：本文以一种快捷的数值算法和程序模型来模拟计算各种尺度高分子自由结合链或等效自由结合链的均方末端距，以及末端距的各阶分布矩．并将计算结果与按统计力学式运算值进行了比较。该计算方法简便可靠，特别适用于长度较短的分子链或无规飞行轨道。不仅可弥补Ｇａｕｓｓ分布的偏差，而且为真实链的构象研究提出了新的途径．A simulation of distribution moments of end-to-end distance of a possibleconformation at a given moment of a freely jointed polymeric chain can be realized throughrepeated iterations of a matrices which is controlled by random numbers. A comparisonbetween the statistic data and the data obtaine from the calculations shows that the re-sults derived from the different methods taily with one another. Moreover,this will pro-vide a simple and effective way for describing structure and properties of a complex macro-molecular chain.

关 键 词：无规行走 构象 末端距 高聚物 自由结合链 

分 类 号：O631.12[理学—高分子化学]