A topical review of recent theoretical work on the properties of lyotropic solutions and melts containing semiflexible polymers in thermal equilibrium is given, with a focus on the liquid-crystalline and smectic order of these systems in the bulk and under confinement. Starting with a discussion of single chain properties in terms of the Kratky-Porod worm-like chain model and its limitations, extensions along the lines of Onsager’s theory for the isotropic-nematic transition of solutions of hard rods are briefly reviewed. This discussion is followed by a review of recent Molecular Dynamics simulations and classical Density Functional Theory calculations. It is argued that, even in the simplest case of athermal solutions, coarse-grained polymer models must include three lengths: the contour length L , the persistence length ##IMG## [http://ej.iop.org/images/2515-7639/3/3/032008/jpmaterab975eieqn1.gif] {$\ell_{\rm p}$} , and the effective chain thickness...

中文翻译：

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通过计算模型了解液晶聚合物的性质

给出了有关在热平衡状态下含半柔性聚合物的溶致溶液和熔体性质的最新理论工作的专题综述，重点关注了这些体系在整体和受限状态下的液晶和近晶顺序。首先从关于Kratky-Porod蠕虫状链模型及其局限性的单链性质的讨论开始，简要回顾了Onsager理论对硬棒溶液的各向同性向列相变的扩展。讨论之后，回顾了最近的分子动力学模拟和经典的密度泛函理论计算。有人认为，即使在最简单的无热解的情况下，粗粒聚合物模型也必须包括三个长度：轮廓长度L，持久长度## IMG ## [http：//ej.iop。