BIPHY  >> Vol. 4 No. 2 (May 2016)

    Molecular Dynamics Study of Polymer Brushes with Ring Topology

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万吴兵,吴晨旭:厦门大学软物质与生物仿生研究院,福建 厦门;厦门能源材料化学协同创新中心,福建 厦门;
Holger Merlitz:厦门大学软物质与生物仿生研究院,福建 厦门

标度行为拓扑结构等温压缩Scaling Behavior Topological Structure Isothermal Compression



Static properties of polymer brushes with different topological ring structures are studied by using molecular dynamics simulation, and a compression of the brushes in isothermal process is carried out. It is found that the scaling behaviors between the radius of gyration and the chain length are very different in different directions. The scaling behavior between the gyration radii in the z-direction and the chain length shows little difference for different topological structures. While the transverse components reveal a quite different result. Furthermore, as the topological constraint becomes stronger, one obtains smaller scaling exponent. From the simulation of iso-thermal compression of the brush, we find that the profile of the monomer density is a step function rather than a parabolic one without compression. With force increasing, the topological effect will disappear in the brush system.

万吴兵, HolgerMerlitz, 吴晨旭. 具有环形拓扑结构聚合物刷的分子动力学研究[J]. 生物物理学, 2016, 4(2): 27-37.


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