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Effects of Shape of Crowders on Dynamics of a Polymer Chain Closure
Bai-cheng Xi,Dong-hua Zhang,Jia-jun Wang,Wan-cheng Yu*
Author NameAffiliationE-mail
Bai-cheng Xi CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China  
Dong-hua Zhang CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China  
Jia-jun Wang CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China  
Wan-cheng Yu* CAS Key Laboratory of Soft Matter Chemistry, Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China ywcheng@ustc.edu.cn 
Abstract:
Using 3D Langevin dynamics simulations,we investigate the effects of the shape of crowders on the dynamics of a polymer chain closure.The chain closure in spherical crowders is dominated by the increased medium viscosity so that it gets slower with the increasing volume fraction of crowders.By contrast,the dynamics of chain closure becomes very complicated with increasing volume fraction of crowders in spherocylindrical crowders.Notably,the mean closure time is found to have a dramatic decrease at a range of volume fraction of crowders 0.36-0.44.We then elucidate that an isotropic to nematic transition of spherocylindrical crowders at this range of volume fraction of crowders is responsible for the unexpected dramatic decrease in the mean closure time.
Key words:  Loop formation  Crowding effects  Shape polydispersity
FundProject:This work is supported by the Fundamental Research Funds for the Central Universities of China (No.WK2060200020) and the China Postdoctoral Science Foundation (No.2015M581998).
拥挤剂粒子形状对大分子链成环动力学的影响
夏佰成,张冬华,王佳军,昱万程*
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DOI:10.1063/1674-0068/30/cjcp1703024
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