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Solvent size effect on the static and dynamic properties of polymer chains in athermal solvents
Authors:Cui-Liu Fu  Zhao-Yan Sun  Li-Jia An  Hong-Fei Li
Affiliation:a State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, PR China
b Research Institute of Materials Science, South China University of Technology, Guangzhou 510641, PR China
Abstract:The static and dynamic properties of polymer chains in athermal solvents with different sizes are studied by molecular dynamics method. With increasing solvent size, the radius of gyration and the diffusion coefficient of the polymer decay fast until a critical solvent size is reached. For the polymer diffusion coefficients, this decay only depends on the solvent size; while for the radius of gyration of polymers, this decay depends on both solvent size and the length of the polymers. The increase of solvent size also makes the polymer tend to be thicker ellipsoid until a critical solvent size is reached. The static scaling exponent of the polymer also shows the solvent size dependence. Moreover, four regions are identified where the polymers show different dynamic behaviors according to the dynamic structure factors of the polymer.
Keywords:Solvent size effect   Radius of gyration   Diffusion coefficient
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