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星型共聚高分子构象的Monte-Carlo模拟

Monte-Carlo Simulation on the Star Copolymer
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摘要 采用非格子Monte-Carlo模拟方法对星型共聚高分子的回转半径、均方回转半径、构象和能量等随时间的演化过程进行了模拟研究,并进一步分析讨论了分支数目、分支聚合度以及分支末端链单元间相互作用对星型共聚高分子驰豫过程及其聚集态结构的影响.结果表明,稳定状态下的星型聚合物可以呈现瓜型构象.所得结果可为星型共聚高分子性质的研究提供线索. The off-lattice Monte-Carlo simulation on the star copolymer is presented.The effects of the number of arms,the polymerization degree of branch and non-bonded interaction between monomers on the aggregation structure of star copolymer are investigated.It is shown that the star copolymer can display a melon conformation under stable conditions.The corresponding results provide some possible clues for understanding the structures of star copolymer.
出处 《河北师范大学学报(自然科学版)》 CAS 北大核心 2012年第6期588-592,共5页 Journal of Hebei Normal University:Natural Science
基金 河北省自然科学基金(B2006000959)
关键词 非格子Monte-Carlo模拟 星型共聚高分子 构象 off-lattice Monte-Carlo simulation star copolymer conformation
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参考文献11

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