Free Energy and Extension of a Wormlike Chain in Tube Confinement
Free Energy and Extension of a Wormlike Chain in Tube Confinement
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DOI：
10.1021/ma4020824
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发表时间：
2013-12-24
期刊：
影响因子：
5.5
通讯作者：
Chen, Jeff Z. Y.
中科院分区：
文献类型：
--
作者：
Chen, Jeff Z. Y.
讨论和分析了约束下长蠕虫状聚合物的自由能和构象性质的偏微分方程式。在强约束极限下，约束自由能和聚合物伸长呈现Odijk幂定律；得到并分析了微分方程组的数值解，得到了方形和圆形截面管子的幂定律系数；结果验证了最近确定的系数，其中一个是用相同的方法，另一个是用蒙特卡罗模拟方法。在弱约束极限下，自由能表现出典型的de Gennes幂定律，这是通过检验高斯聚合物模型得到的；本文得到了圆截面管内长蠕虫状聚合物从强约束极限到弱约束极限交叉区自由能和链段取向性质的数值解。
The partial differential equation that yields the free energy and conformational properties of a long wormlike polymer in confinement is discussed and analyzed. In the strong confinement limit, the confinement free energy and polymer extension display the Odijk power laws; numerical solutions of the differential equations are obtained and analyzed to produce these power-law coefficients for tubes with square and circular cross sections; the result verifies recent determination of the coefficients, one of them by the same method and the others by the Monte Carlo simulation method. In the weak confinement limit, the free energy displays the typical De Gennes power law, which was obtained by examining the Gaussian polymer model; numerical solutions are obtained here for the free energy and segmental orientational properties in the crossover region from strong- to weak-confinement limits, for a long wormlike polymer confined in a tube with a circular cross section.