Size and Dynamics of Ring Polymers under Different Topological Constraints

作     者：Jiang-Yang Mo Zhen-Hua Wang Yu-Yuan Lu Li-Jia An Jiang-Yang Mo;Zhen-Hua Wang;Yu-Yuan Lu;Li-Jia An

作者机构：State Key Laboratory of Polymer Physics and ChemistryChangchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China University of Science and Technology of ChinaHefei230026China 

出 版 物：《Chinese Journal of Polymer Science》 (高分子科学（英文版）)

年 卷 期：2023年第41卷第4期

页      面：516-524,I0006页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070305[理学-高分子化学与物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0714[理学-统计学（可授理学、经济学学位）] 0703[理学-化学] 0701[理学-数学] 0812[工学-计算机科学与技术（可授工学、理学学位）] 

基　　金：the National Key R&D Program of China (No. 2020YFA0713601) the National Natural Science Foundation of China (Nos. 21790340 and 22073092) the Programs of Chinese Academy of Sciences (No. QYZDYSSW-SLH027) 

主　　题：Ring polymer Topological constraint Extended Stokes-Einstein relation Monte Carlo simulation 

摘      要：The impact of ring polymer length N and the influence of interchain and intrachain interactions on the size and dynamic behaviors of ring polymers,including the structural relaxation time τ_(R) and self-diffusion coefficient D,remain poorly understood at present due to a lack of systematic studies with relatively large N *** work addressed this issue by applying dynamic Monte Carlo simulations with independently tuned interchain and intrachain interactions to investigate the size and dynamics of the ring melts with chain lengths over a wide range of 0.2N_(e)≤N≤80N_(e)(N_(e) is the entanglement length of corresponding linear chains)under different topological constraints,including all-crossing and intercrossing *** found that it was inappropriate to treat the unknotting constraint free energy of the ring chains in the melts as the free energy contributed by the excluded volume interactions of polymers in a good *** exponents of 2.5 and 1.5 reflecting the Ndependence of τ_(R) were obtained for long ring chains in non-crossing and intra-crossing systems,respectively,suggesting that the ring chains behaved as individual clusters and exhibited Zimm-like dynamics in intra-crossing systems.A single scaling exponent of-2 reflecting the Ndependence of D was obtained for ring chains in non-crossing and intra-crossing systems,indicating that the intrachain constraints affected only the value of D,and had little influence on the scaling relationship between D and ***,the extended Stokes-Einstein relation broke down for the ring chains in the non-crossing and intra-crossing systems because the structural relaxation and translational diffusion were decoupled for the short ring systems,while both the translational diffusion and rotational relaxations,as well as diffusion at short and long time scales,were decoupled for long ring systems.