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

DYNAMIC MONTE CARLO STUDY ON THE CORRELATION BETWEEN SHAPE AND SIZE OF LINEAR POLYMER CHAINS
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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.
作者 黄建花
出处 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 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).
关键词 CORRELATION Dynamic Monte Carlo Polymer chain Correlation Dynamic Monte Carlo Polymer chain
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