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Simulation Study on the Extension of Semi-flexible Polymer Chains in Cylindrical Channel 被引量:1

Simulation Study on the Extension of Semi-flexible Polymer Chains in Cylindrical Channel
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摘要 The scaling relations among the mean end-to-end distance of polymer along the channel<R||>,the polymer length N,and the effective diameter of channel De were investigated for flexible and semi-flexible polymer chains confined in long cylindrical channels.For the flexible polymer chain,scaling relation<R||>~NDe–0.7 was found in the classic de Gennes regime at lp2/b<De<Rg with lp the persistence length,b the bond length,and Rg the radius of gyration of polymer.For the semi-flexible polymer,<R||>~NDe–1 in the transition regime lp<De<xlp(x>1)and<R|>~De–0.7 in the classic de Gennes regime at larger De>xlp were observed.The simulation results revealed that the scaling relation in the transition regime was due to the rod-like behavior of the semi-flexible polymer in the small regime lp<De<xlp. The scaling relations among the mean end-to-end distance of polymer along the channel <R||>, the polymer length N, and the effective diameter of channel De were investigated for flexible and semi-flexible polymer chains confined in long cylindrical channels. For the flexible polymer chain, scaling relation <R||> ~ NDe–0.7 was found in the classic de Gennes regime at lp2/b < De < Rg with lp the persistence length, b the bond length, and Rg the radius of gyration of polymer. For the semi-flexible polymer, <R||> ~ NDe–1 in the transition regime lp < De < xlp(x > 1) and <R|> ~ De–0.7 in the classic de Gennes regime at larger De > xlp were observed. The simulation results revealed that the scaling relation in the transition regime was due to the rod-like behavior of the semi-flexible polymer in the small regime lp < De < xlp.
出处 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2019年第12期1290-1297,I0008,共9页 高分子科学(英文版)
基金 financially supported by the National Natural Science Foundation of China (Nos. 21574117 and 11674277) Zhejiang Provincial Natural Science Foundation of China (No. LY16A040004)
关键词 Semi-flexible polymer CYLINDRICAL CHANNEL CONFORMATION Scaling relation MONTE Carlo simulation Semi-flexible polymer Cylindrical channel Conformation Scaling relation Monte Carlo simulation
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