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聚合物-液晶混合物中相序和相分离过程中的织构形成

Texture formation under phase ordering and phase separation in polymer-liquid crystal mixtures.

作者信息

Das Susanta K, Rey Alejandro D

机构信息

Department of Chemical Engineering, McGill University, 3610 University Street, Montreal, Quebec, H3A 2B2 Canada.

出版信息

J Chem Phys. 2004 Nov 15;121(19):9733-43. doi: 10.1063/1.1804494.

Abstract

Computational modeling of texture formation in coupled phase separation-phase ordering processes in polymer/liquid crystal mixtures is performed using a unified model based on the nematic tensor order parameter and gradient orientation elasticity. The computational methods are able to resolve defect nucleation, defect-defect interactions, and defect-particle interactions, as well as global and local morphological features in the concentration and order parameter spatiotemporal behavior. Biphasic structures corresponding to polymer dispersed liquid crystals (PDLCs), crystalline filled nematic (CFNs), and random filled nematics (RFNs) are captured and analyzed using liquid crystal defect physics and structure factors. Under spinodal decomposition due to concentration fluctuations, the PDLC structure emerges, and the nucleation and repulsive interaction of defects within nematic droplets leads to bipolar nematic droplets. Under spinodal decomposition due to ordering fluctuations, the CFNs structure emerges, and the stable polymer droplet crystal is pinned by a lattice of topological defects. For intermediate cases, where the mixture is unstable to both concentration and nematic order fluctuations, the RFN structure emerges, and polymer droplets and fibrils are pinned by a defect network, whose density increases with the curvature of the polymer-liquid crystal interface. The simulations provide an information of the role of topological defects on phase separation-phase ordering processes in polymer-liquid crystal mixtures.

摘要

利用基于向列张量序参数和梯度取向弹性的统一模型,对聚合物/液晶混合物中耦合相分离 - 相排序过程中的织构形成进行了计算建模。这些计算方法能够解析缺陷成核、缺陷 - 缺陷相互作用、缺陷 - 粒子相互作用,以及浓度和序参数时空行为中的全局和局部形态特征。使用液晶缺陷物理和结构因子对对应于聚合物分散液晶(PDLC)、晶体填充向列相(CFN)和随机填充向列相(RFN)的双相结构进行了捕获和分析。在由于浓度波动引起的旋节线分解下,PDLC结构出现,向列液滴内缺陷的成核和排斥相互作用导致双极向列液滴。在由于有序波动引起的旋节线分解下,CFN结构出现,稳定的聚合物液滴晶体被拓扑缺陷晶格固定。对于中间情况,即混合物对浓度和向列序波动均不稳定时,RFN结构出现,聚合物液滴和纤维被缺陷网络固定,缺陷网络的密度随聚合物 - 液晶界面的曲率增加。这些模拟提供了拓扑缺陷在聚合物 - 液晶混合物相分离 - 相排序过程中作用的信息。

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