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Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory

机译:线性遥爪聚合物的格子模型熔化。 I.包含链   格点簇理论中的半双工性

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摘要

The lattice cluster theory (LCT) for the thermodynamics of polymer systemshas recently been reformulated to treat strongly interacting self-assemblingpolymers composed of fully flexible linear telechelic chains [J. Dudowicz andK. F. Freed, J. Chem. Phys. \textbf{136}, 064902 (2012)]. Here, we furtherextend the LCT for linear telechelic polymer melts to include a description ofchain semiflexibility, which is treated by introducing a bending energy penaltywhenever a pair of consecutive bonds from a single chain lies along orthogonaldirections. An analytical expression for the Helmholtz free energy is derivedfor the model of semiflexible linear telechelic polymer melts. The extensionprovides a theoretical tool for investigating the influence of chain stiffnesson the thermodynamics of self-assembling telechelic polymers, and for furtherexploring the influence of self-assembly on glass formation in such systems.
机译:最近,对聚合物体系热力学的晶格簇理论(LCT)进行了重组,以处理由完全柔性的线性远螯链组成的强相互作用的自组装聚合物[J.杜多维奇和K. F.Freed,化学杂志。物理\ textbf {136},064902(2012)]。在这里,我们进一步扩展了线性远程螯合聚合物熔体的LCT,以包括链半柔韧性的描述,只要来自一条单链的一对连续键沿正交方向放置,就会通过引入弯曲能罚进行处理。推导了半挠性线性远螯聚合物熔体模型的亥姆霍兹自由能的解析表达式。该扩展提供了一种理论工具,用于研究链刚度对自组装远螯聚合物热力学的影响,并进一步探索自组装对此类系统中玻璃形成的影响。

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