DYNAMIC MONTE CARLO STUDY ON THE CORRELATION BETWEEN SHAPE AND SIZE OF LINEAR POLYMER CHAINS  

作　　者：黄建花 

机构地区：[1]Department of Applied Chemistry Zhejiang Institute of Science and Technology Hangzhou 310033, China

出　　处：《Chinese Journal of Polymer Science》2003年第1期65-70,共6页高分子科学（英文版）

基　　金：This work was supported by the National Natural Science Foundation of China (No. 20076038 and No. 20204014).

摘　　要：The correlation between shape and size of linear chains on the simple cubic lattice is investigated using a dynamicMonte Carlo technique. A positive correlation between the asphericity parameter A and the square of the end-to-end distanceR^2, as well as that between A and the square of the radius of gyration S^2, is found for both RW and SAW chains, indicatingthat a chain conformation of small size is usually more spherical than one of large size. The result can explain why the shapeof the SAW chain deviate much more from a sphere than that of the RW chain, and can also explain the similar dependenceof size and shape on chain stiffness and on the distance of the first bead of a chain from an infinitely large flat surface.The correlation between shape and size of linear chains on the simple cubic lattice is investigated using a dynamicMonte Carlo technique. A positive correlation between the asphericity parameter A and the square of the end-to-end distanceR^2, as well as that between A and the square of the radius of gyration S^2, is found for both RW and SAW chains, indicatingthat a chain conformation of small size is usually more spherical than one of large size. The result can explain why the shapeof the SAW chain deviate much more from a sphere than that of the RW chain, and can also explain the similar dependenceof size and shape on chain stiffness and on the distance of the first bead of a chain from an infinitely large flat surface.

关 键 词：CORRELATION Dynamic Monte Carlo Polymer chain 

分 类 号：O631.3[理学—高分子化学]