Pressure and Isotropic-Nematic Transition Temperature of Model Liquid Crystals
Pressure and Isotropic-Nematic Transition Temperature of Model Liquid Crystals
复制标题
模型液晶的压力和各向同性-向列相转变温度
DOI：
10.1515/zna-1999-10-1101
复制
发表时间：
1999
期刊：
影响因子：
--
通讯作者：
B. Su
中科院分区：
文献类型：
--
作者：
S. Hess;B. Su
对一个由非球形粒子组成的模型系统，计算了气态、各向同性液态和均质液晶态的压力以及各向同性-均质转变温度。势是伦纳-琼斯相互作用的推广，其中吸引力部分取决于粒子的相对取向和连接它们质心的矢量。出发点是一个增强的货车德瓦尔斯方法。它涉及到一个修改后的Carnahan-Starling表达式与排斥的相互作用的一部分，和一个取向依赖的第二维里系数，以及一对粒子的取向分布函数，与吸引力的潜在的一部分。在高温近似下，并为一个特殊的选择模型参数，结果提出和图形显示。
The pressure in the gaseous, the isotropic liquid and nematic liquid crystalline states, as well as the isotropic-nematic transition temperature are calculated for a model system composed of non-spherical particles. The potential is a generalization of the Lennard-Jones interaction where the attractive part depends on the relative orientations of the particles and the vector joining their centers of mass. Point of departure is an augmented van der Waals approach. It involves a modified Carnahan-Starling expression associated with the repulsive part of the interaction, and an orientation dependent second virial coefficient, as well as the orientational distribution functions of a pair of particles, linked with the attractive part of the potential. In a high temperature approximation, and for a special choice of model parameters, results are presented and displayed graphically.