论文标题
关于范德华的泛化方法，用于无序多孔培养基中各向异性流体的各向异性流体相平衡
On generalization of Van der Waals approach for isotropic-nematic fluid phase equilibria of anisotropic fluids in disordered porous medium
论文作者
论文摘要
在多孔培养基中，开发了针对各向异性流体的广义范德华方法。作为参考系统，在缩放粒子理论的框架中考虑并描述了无序的多孔介质中的硬球糖液，并用carnahan-Starling和Parsons-Lee校正进行了描述。相互作用的有吸引力的部分是在平均场近似框架中进行处理的，在该框架的框架中，由于两个球形固定器的排除体积的定向依赖性，发现有吸引力和排斥性贡献之间的耦合。我们关注的是具有足够长的颗粒长度的球囊流体，并为其建立了列神经转变。结果表明，这两个列相具有不同的密度，并以不同的定向排序为特征。建立了颗粒间吸引力对无序多孔培养基中各向异性流体的相行为的强烈影响。考虑了用于此目的的三个简单模型，即具有Lennard-Jones各向异性吸引力的模型，具有修改的Lennard-Jones吸引力的模型和具有各向异性方形湿电势的模型。对于所有考虑的模型，随着孔隙率的降低，相图转移到较低密度和较低温度的区域。
A generalized Van der Waals approach is developed for anisotropic fluids in disordered porous media. As the reference system a hard spherocylinder fluid in a disordered porous medium is considered and described in the framework of the scaled particle theory with the Carnahan-Starling and Parsons-Lee corrections. The attractive part of interaction is treated in the framework of the mean field approximation in which due to orientational dependence of the excluded volume of two spherocylinders, a coupling between attractive and repulsive contributions is found. We focus on spherocylinder fluids with sufficiently long particle lengths for which the nematic-nematic transition was established. It is shown that these two nematic phases have different densities and are characterized by different orientational ordering. Strong influence of the type of interparticle attraction on the phase behaviour of anisotropic fluids in disordered porous media is established. Three simple models for this purpose are considered, namely a model with the Lennard-Jones anisotropic attraction, a model with modified Lennard-Jones attraction and a model with anisotropic square-well potential. For all considered models, the phase diagram shifts to the region of lower densities and lower temperatures as the porosity decreases.
