| CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Dynamics of Nano-Chain Diffusing in Porous Media |
| CHEN Jiang-Xing1,2, ZHENG Qiang1, HUANG Chun-Yun1, XU Jiang-Rong1**, YING He-Ping3 |
1Department of Physics, Hangzhou Dianzi University, Hangzhou 310018
2Department of Physics, Nanjing University, Nanjing 210093
3Department of Physics, Zhejiang University, Hangzhou 310027
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| Cite this article: |
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CHEN Jiang-Xing, ZHENG Qiang, HUANG Chun-Yun et al 2015 Chin. Phys. Lett. 32 068701 |
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Abstract A coarse-grained model is proposed to study the dynamics of a nano-chain diffusing in porous media. The simulation utilizes a hybrid method which combines stochastic rotation dynamics with molecular dynamics. Solvent molecules are explicitly taken into account to represent the hydrodynamic interactions and random fluctuations. The conformation, relaxation, and diffusion properties of a polymer chain are investigated by changing the density degree of the obstacle matrix. It is found that the average size of the chain is a non-monotonic function of the obstacle volume fraction φ. A dense environment may contribute to extending a linear chain, which can be characterized by larger exponents in the corresponding power law. The relaxation behavior of a stretched chain to a steady state shows dramatic crossover from exponent to power-law relaxation when the values of φ are increased. The dependence of the diffusion coefficient on the chain size is also studied. Various kinds of scaling properties are presented and discussed. The results can give additional insight into the density effect of porous media on polymer structure and dynamics.
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Received: 16 February 2015
Published: 30 June 2015
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