The pressure and self diffusion of confined model fluid are being investigated using Monte Carlo NVT simulation. Different aspect ratios of contents, cavity sizes and packing fractions are presented. For these confined systems, almost the same pressures are observed in the isotropic region, in comparison with the pressure of the corresponding bulk systems and theoretical results. In the nematic region, the pressure of the bulk and the largest confined systems are almost the same and the pressures of different boxes diverge. The pressure of the confined system also shows decreasing oscillatory behaviour against cavity size for all aspect ratios. The period of these oscillations depends on the aspect ratio of the contents and is independent of the packing fraction of the system. The effect of confinement on the self diffusion of particles is also explored and creation of unstable nematic regions is revealed at the low packing fraction of 0.35.

中文翻译：

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密闭流体的热力学和自扩散

使用Monte Carlo NVT模拟研究了受限模型流体的压力和自扩散。介绍了内容物，型腔尺寸和填充分数的不同长宽比。对于这些密闭系统，在各向同性区域中观察到几乎相同的压力，与相应的整体系统的压力和理论结果相比。在向列区域，散装和最大密闭系统的压力几乎相同，不同箱子的压力分散。在所有纵横比下，受限系统的压力还显示出相对于腔体尺寸的减小的振动行为。这些振荡的周期取决于内容物的长宽比，并且与系统的填充率无关。