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首页> 外文期刊>The Journal of Chemical Physics >Interfaces, wetting, and capillary nematization of a hard-rod fluid:Theory for the Zwanzig model
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Interfaces, wetting, and capillary nematization of a hard-rod fluid:Theory for the Zwanzig model

机译:硬棒流体的界面,润湿和毛细管线化:Zwanzig模型的理论

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We investigate interfacial and capillary phenomena in a simple model for a fluid of hard rods, viz. the Zwanzig model, in which the orientations of rectangular blocks are restricted to three orthogonal directions. The theory, which is based on an Onsager-like free energy functional, predicts local biaxial ordering at the “free” interface between the coexisting isotropic and nematic phases. For an isotropic bulk fluid in contact with a single planar hard wall, we find a continuous surface phase transition from uniaxial to biaxial local symmetry, followed by complete wetting of the wall— isotropic fluid interface by a nematic film with director parallel to the wall, as the reservoir density approaches its value at bulk coexistence. For a fluid confined by two parallel hard walls we determine a first-order capillary nematization transition at large wall separation, which terminates in a capillary critical point when the wall separation is about twice the length of the rods. This transition is the analog of the capillary condens~tion observed for simple fluids confined by attractive walls but is purely entropy driven here.
机译:我们在硬棒流体的简单模型中研究界面和毛细现象,即。 Zwanzig模型,其中矩形块的方向限于三个正交方向。该理论基于类似Onsager的自由能泛函,预测了在各向同性相和向列相之间“自由”界面处的局部双轴排序。对于与单一平面硬壁接触的各向同性的整体流体,我们发现从单轴局部对称到双轴局部对称的连续表面相变,接着是壁的完全润湿-各向同性流体界面被指向矢平行于壁的向列膜覆盖,随着储层密度在共存时接近其值。对于由两个平行的硬壁限制的流体,我们确定了大壁分离时的一阶毛细管线虫化转变,当壁分离约为杆长度的两倍时,该过渡终止于毛细管临界点。这种转变类似于在有吸引力的壁所约束的简单流体中观察到的毛细管冷凝现象,但此处纯粹是由熵驱动的。

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