高分子链形状与尺寸关联的完全计数研究  

Research on the exact enumeration of the correlations between shape and size of polymer chains.

作　　者：王治虎[1] 罗孟波[2] 

机构地区：[1]杭州广播电视大学,浙江杭州310012 [2]浙江大学物理系,浙江杭州310027

出　　处：《浙江大学学报（理学版）》2006年第6期642-645,共4页Journal of Zhejiang University（Science Edition）

基　　金：国家自然科学基金资助项目(20204014)

摘　　要：采用完全计数(Exact Enumeration)方法对金刚石格点链的构象进行精确枚举,计算构象的末端距平方R2和回转半径平方S2与非球形因子A之间的关系.结果表明:关联系数CA,R2和CA,S2与链长的倒数n-1均有非常好的线性关系;排斥体积效应使关联系数CA,R2和CA,S2增大.与简立方格点上的Monte Carlo模拟结果比较后发现,长链极限的CA,R2和CA,S2与格点类型无关,但有限长度链的CA,R2和CA,S2依赖于格点类型,其值与格点的近邻数有关,近邻数增加则CA,R2和CA,S2减小.The conformations of a linear chain on the using the exact enumeration method. The correlation three-choice tetrahedral lattice were accurately enumerated by between the square end-to-end distance R^2 and the aspherieity parameter A and the correlation between the square radius of gyration S^2 and A were computed for chain lengths from 10 to 23. It was concluded that both the correlation coefficients CA,R^2 and CA,S^2 are proportional to the reciprocal of the chain length n 1, which is an assumption obtained from previous Monte Carlo simulations for longer chains. The correlation coefficients CA,R^2 and CA,S^2 were found to be increased by the excluded volume among chain segments. The limits of CA,R^2 and CA,S^2 at large chain lengths are independent of the lattice model, but CA,R^2 and CA,S^2 of finite chain lengths depend on the lattice model： they decrease with the increase of the number of the nearest neighbors of lattice model.

关 键 词：关联系数 非球形因子 末端距 回转半径 完全计数 

分 类 号：O469[理学—凝聚态物理]