双轴向列相及硬板状粒子流体多分散混合物中的向列-向列相分离
Biaxial nematics and nematic-nematic demixing in polydisperse mixtures of hard board-like particle fluids
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中文总结 AI 辅助
本研究通过理论模拟和蒙特卡洛模拟，发现多分散性增强硬板状粒子液晶中单轴相分离并扩大双轴相稳定区，为沉降实验设计提供参考。
中文摘要 AI 辅助
我们利用基本测度理论和蒙特卡洛计算机模拟，研究了由具有受限取向的双轴板状粒子构成的多分散液晶流体的体相行为。粒子的连续多分散性通过截断的Schulz分布引入到板的中间长度中。通过计算多个多分散系数范围内的相图，我们发现多分散性（i）增强了两个单轴向列相之间的相分离，（ii）扩大了双轴相的稳定区域。尽管相对于非均匀相是亚稳的，我们识别出某些混合物表现出涉及单轴-单轴和单轴-双轴相分离的两相共存路径。这些路径能否完成取决于母分布函数的精确形状。对代表性案例进行的蒙特卡洛模拟显示出与理论预测相同的相图拓扑，从而验证了理论方法。两种方法之间的主要差异在于定量一致性，模拟的相变系统性地发生在比理论预测更高的堆积分数处。我们结合理论和模拟的结果可能对多分散各向异性粒子胶体悬浮液的沉降实验的设计和解释具有相关性。
英文摘要
We study the bulk phase behavior of a polydisperse liquid crystal fluid made of biaxial boards with restricted orientations using both fundamental measure theory and Monte Carlo computer simulations. The continuous polydispersity is included in the intermediate particle length of the boards via a truncated Schulz distribution. By calculating several phase diagrams across a range of polydispersity coefficients, we find that polydispersity (i) enhances demixing between two uniaxial nematic phases and (ii) expands the stability region of the biaxial phase. Although metastable with respect to non-uniform phases, we identify certain mixtures exhibiting two-phase coexistence paths involving uniaxial-uniaxial and uniaxial-biaxial phase separations. Whether these paths can be completed depends on the precise shape of the parent distribution function. Monte Carlo simulations performed for a representative case exhibit the same phase diagram topology predicted by theory, thereby validating the theoretical approach. The main difference between both approaches lies in quantitative agreement, with simulated phase transitions systematically occurring at higher packing fractions than those predicted theoretically. Our combined theoretical and simulation results may prove relevant to the design and interpretation of sedimentation experiments on colloidal suspensions of polydisperse anisotropic particles.
发表机构
- Universidad Carlos III de Madrid（马德里卡洛斯三世大学）
- Universität Tübingen（蒂宾根大学）
- Universidad Autónoma de Madrid（马德里自治大学）
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