It is important to investigate interfacial effects on liquid transport characteristics through nanopores with strong wettability due to potential applications in several fields. The structural and transport properties of wetted liquid argon through nanochannels were investigated via molecular dynamics (MD) simulations. A mathematical model for liquid flow in nanoporous media was established based on the constant negative slip length by combining MD simulations with fractal theory for complex media. The results show that the strong liquid–solid attraction allows the liquid to be adsorbed onto the solid walls. In addition, compared with the bulk diffusion coefficient in the center of the nanochannel, the coefficient parallel to the interface near the solid walls is largely reduced, indicating the liquid molecules are strongly bound to the solid walls. Furthermore, negative slip can exist in the vicinity of solid walls with strong wettabilities. The variations in negative slip length with the external driving force can be characterized by two regimes. In steady negative slip regime, the negative slip length remains constant. As the driving force continues to increase, the transition negative slip regime exists, where the negative slip length decreases linearly with the driving force until the slip length becomes zero. The presence of a negative slip length reduces the liquid flow rate compared with no slip or a positive slip length due to the reduced effective cross section for fluid transport. Moreover, the increased fractal dimensions about the capillary radius result in an enhanced liquid flow rate, while that about the tortuosity reduces the liquid flow rate.

中文翻译：

---

液体通过具有强润湿性的纳米多孔介质传输

由于在多个领域的潜在应用，通过具有强润湿性的纳米孔研究界面对液体传输特性的影响非常重要。通过分子动力学 (MD) 模拟研究了润湿液氩通过纳米通道的结构和传输特性。将MD模拟与复杂介质的分形理论相结合，基于恒定负滑移长度，建立了纳米多孔介质中液体流动的数学模型。结果表明，强大的液固吸引力使液体吸附在固体壁上。此外，与纳米通道中心的体扩散系数相比，平行于固体壁附近界面的系数大大降低，表明液体分子与固体壁紧密结合。此外，在具有强润湿性的固体壁附近可能存在负滑移。负滑移长度随外部驱动力的变化可以用两种方式表征。在稳定的负滑移状态下，负滑移长度保持不变。随着驱动力的继续增加，过渡负滑移状态存在，负滑移长度随驱动力线性减小，直到滑移长度变为零。与无滑动或正滑动长度相比，负滑动长度的存在降低了液体流速，因为减少了流体传输的有效横截面。此外，毛细管半径的分形维数增加导致液体流速增加，