【摘要】 当固体壁面间距仅有几个纳米时，纳米受限效应使得流体自扩散系数降低1~2个数量级，孔径、温度和压力的影响显著且复杂。分析受限流体扩散机理和规律，建立简洁的关联式具有重要意义。本研究从分子模拟出发，经过仔细计算和分析，获得了大量纳米孔隙中流体自扩散系数数据。分析了壁面吸附作用对流体扩散的影响机理和规律，提出了可简单描述流体扩散行为的无量纲扩散系数，从而与努森数建立相应关联式，具有较强的适用性。更多还原

【Abstract】 When the distance between solid walls is only a few nanometers, the self-diffusion coefficient of fluid is reduced by 1~2 orders of magnitude due to the nanoconfinement effect, and the effects of pore size, temperature and pressure are significant and complex. It is of great significance to analyze the diffusion mechanism and law of nanoconfined fluid and establish a concise correlation formula. In this study, a wide range of fluid self-diffusion coefficient data in nanopores were obtained through careful calculation and analysis based on molecular dynamics simulation. The mechanism and law of the adsorption effect on fluid diffusion were analyzed, and a novel dimensionless diffusion coefficient, which can simply describe the fluid diffusion behavior, was proposed,and the corresponding correlation formula was established with Knudsen number, which has strong applicability.更多还原