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受限在狭缝状孔隙中的流体桥蒸发过程的分子动力学模拟

Molecular-dynamics simulation of evaporation processes of fluid bridges confined in slitlike pores.

作者信息

Bucior Katarzyna, Yelash Leonid, Binder Kurt

机构信息

Institut für Physik, Johannes Gutenberg-Universität, D-55099 Mainz, Staudinger Weg 7, Germany.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Mar;79(3 Pt 1):031604. doi: 10.1103/PhysRevE.79.031604. Epub 2009 Mar 12.

Abstract

A simple fluid, described by pointlike particles interacting via the Lennard-Jones potential, is considered under confinement in a slit geometry between two walls at distance L_{z} apart for densities inside the vapor-liquid coexistence curve. Equilibrium then requires the coexistence of a liquid "bridge" between the two walls, and vapor in the remaining pore volume. We study this equilibrium for several choices of the wall-fluid interaction (corresponding to the full range from complete wetting to complete drying, for a macroscopically thick film), and consider also the kinetics of state changes in such a system. In particular, we study how this equilibrium is established by diffusion processes, when a liquid is inserted into an initially empty capillary (partial or complete evaporation into vacuum), or when the volume available for the vapor phase increases. We compare the diffusion constants describing the rates of these processes in such inhomogeneous systems to the diffusion constants in the corresponding bulk liquid and vapor phases.

摘要

一种由通过 Lennard-Jones 势相互作用的点状粒子描述的简单流体,在气液共存曲线内的密度条件下,被限制在间距为 (L_{z}) 的两壁之间的狭缝几何结构中进行研究。此时平衡要求两壁之间存在液体“桥”,而剩余孔隙体积中为蒸汽。我们针对几种壁 - 流体相互作用的选择(对应于宏观厚膜从完全润湿到完全干燥的全范围)研究这种平衡,并且还考虑了此类系统中状态变化的动力学。特别地,我们研究当液体被插入最初为空的毛细管时(部分或完全蒸发到真空中),或者当气相可用体积增加时,这种平衡是如何通过扩散过程建立的。我们将描述此类非均匀系统中这些过程速率的扩散常数与相应体相液体和气相中的扩散常数进行比较。

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