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Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface 被引量:1

Dynamic Monte Carlo simulation of linear SAW polymer chain near a flat surface
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摘要 Investigation of the conformational properties of a SAW polymer chain near an impenetrable, non-interacting flat surface showed that the chain at first contracted and orientated itself to slightly parallel when it pulled close to the surface and at last elongated and reoriented itself to slightly perpendicular to the surface at very small distance from the surface. Simulation showed that most of the disappeared configurations were of large size at moderate distance from the surface while they were of small size at very small distance from the surface; and that the mean-square end-to-end distance <R^2> was much more prone to be influenced by the surface than the mean-square radius of gyration <S^2>. The orientational correlation between the direction of the longest principal axis of the moment of inertia and end-to-end vector was also discussed. Investigation of the conformational properties of a SAW polymer chain near an impenetrable, non-interacting flat surface showed that the chain at first contracted and orientated itself to slightly parallel when it pulled close to the surface and at last elongated and reoriented itself to slightly perpendicular to the surface at very small distance from the surface. Simulation showed that most of the disappeared configurations were of large size at moderate distance from the surface while they were of small size at very small distance from the surface; and that the mean-square end-to-end distance <R2> was much more prone to be influenced by the surface than the mean-square radius of gyration <S2>. The orientational correlation between the direction of the longest principal axis of the moment of inertia and end-to-end vector was also discussed.
出处 《Journal of Zhejiang University Science》 EI CSCD 2004年第6期699-704,共6页 浙江大学学报(自然科学英文版)
基金 Project supported by Zhejiang Provincial Natural Science Foundation of China (No. 202030) and Scientific Research Fund ofZhejiang Provincial Education Department (No. 20020137)
关键词 POLYMER CONFORMATION Probability distribution Monte Carlo simulation 聚合链 构象 蒙特卡罗模拟 概率分布 几何约束
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