确定纳米多孔非均匀介质中流体的压力
Defining the pressures of a fluid in a nanoporous, heterogeneous medium
摘要：
我们描述的热力学状态的单相流体局限于多孔介质与希尔的热力学的小系统，也被称为纳米热力学。这种定义小系统热力学的方式，与一组单独的控制变量，可能是有用的非变形多孔介质中的运输的研究，目前还没有共识存在的压力计算。对于一个封闭的流体，我们观察到有两个压力，积分和差压。我们使用分子模拟，调查和确认的纳米热力学关系的一个代表性的基本体积（REV）。对于单相流体在不同孔隙率的固体球的面心立方晶格中的模型系统，我们计算流体密度、流体-固体表面张力、复制能量、积分压力、熵和内能。
英文摘要：
We describe the thermodynamic state of a single-phase fluid confined to a porous medium with Hill's thermodynamics of small systems, also known as nanothermodynamics. This way of defining small system thermodynamics, with a separate set of control variables, may be useful for the study of transport in non-deformable porous media, where presently no consensus exists on pressure computations. For a confined fluid, we observe that there are two pressures, the integral and the differential pressures. We use molecular simulations to investigate and confirm the nanothermodynamic relations for a representative elementary volume (REV). For a model system of a single-phase fluid in a face-centered cubic lattice of solid spheres of varying porosity, we calculate the fluid density, fluid-solid surface tension, replica energy, integral pressure, entropy, and internal energy.
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