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Loop formation and stability of self-avoiding polymer chains

Loop formation and stability of self-avoiding polymer chains
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摘要 Using 3-dimensional Langevin dynamics simulations, we investigated the dynamics of loop formation of chains with excluded volume interactions, and the stability of the formed loop. The mean looping time ι1/scales with chain length N and corresponding scaling exponent α increases linearly with the capture radius scaled by the Kuhn length a/l due to the effect of finite chain length. We also showed that the probability density function of the looping time is well fitted by a single exponential. Finally, we found that the mean unlooping time ιu hardly depends on chain length N for a given a/l and that the stability of a formed loop is enhanced with increasing a/l. Using 3-dimensional Langevin dynamics simulations, we investigated the dynamics of loop formation of chains with excluded volume interactions, and the stability of the formed loop. The mean looping time rl scales with chain length N and corresponding scaling exponent α increases linearly with the capture radius scaled by the Kuhn length a/l due to the effect of finite chain length. We also showed that the probability density function of the looping time is well fitted by a single exponential. Finally, we found that the mean unlooping time τu hardly depends on chain length N for a given a/l and that the stability of a formed loop is enhanced with increasing a/l.
出处 《Science China Chemistry》 SCIE EI CAS CSCD 2015年第4期689-693,共5页 中国科学(化学英文版)
基金 supported by the National Natural Science Foundation of China(21225421,21174140) the National Basic Research Program of China(2014CB845605) the Hundred Talents Program of the Chinese Academy of Science
关键词 self-avoiding chain looping dynamics mean looping time stability of a loop mean uniooping time 聚合物链 稳定性 环形 回避 循环时间 概率密度函数 动力学模拟 链长度
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