Local mass and energy transports in evaporation processes from a vapor-liquid interface in a slit pore based on molecular dynamics
Local mass and energy transports in evaporation processes from a vapor-liquid interface in a slit pore based on molecular dynamics
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DOI：
10.1063/1.5010890
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发表时间：
2018-02
期刊：
影响因子：
1.6
通讯作者：
K. Fujiwara;M. Shibahara
中科院分区：
文献类型：
--
作者：
K. Fujiwara;M. Shibahara
基于经典分子动力学方法，研究了狭缝状孔隙中形成的气液界面的分子蒸发过程，以阐明狭缝中局部质量和能量传输的分子机制。计算系统由通过 12-6 Lennard-Jones 势相互作用的单原子分子和原子组成。首先，将液体置于具有汽液界面的狭缝中，并在二维上获得狭缝中局部定义的瞬时质量和能量通量，以揭示平衡状态下流体的局部涨落特性。然后，在计算系统中施加温度梯度，基于局部质量和能量通量详细研究了狭缝中的非平衡蒸发过程。在这项研究中，我们重点关注固体表面附近并与气相接触的流体。在非平衡蒸发过程中，结果表明...
Molecular evaporation processes from a vapor-liquid interface formed in a slit-like pore were examined based on the classical molecular dynamics method, in order to elucidate a molecular mechanism of local mass and energy transports in a slit. The calculation system consisted of monatomic molecules and atoms which interact through the 12-6 Lennard-Jones potential. At first, a liquid was situated in a slit with a vapor-liquid interface, and instantaneous amounts of the mass and energy fluxes defined locally in the slit were obtained in two dimensions to reveal local fluctuation properties of the fluid in equilibrium states. Then, imposing a temperature gradient in the calculation system, non-equilibrium evaporation processes in the slit were investigated in details based on the local mass and energy fluxes. In this study, we focused on the fluid which is in the vicinity of the solid surface and in contact with the vapor phase. In the non-equilibrium evaporation processes, the results revealed that the loca...