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在大裂隙的断裂纳米管的连接处存在断裂的水桥，这使得水分子难以通过断裂纳米管。即使在断裂纳米管施加较强的压强差，水分子依然难以通过某些断裂纳米管。修复断裂纳米管连接处的水桥是实现断裂纳米管内水传输的关键。目前模拟证实施加匀强电场或太赫兹电场能够修复大裂隙断裂纳米管连接处的水桥，但这些方法是被动式修复断裂纳米管连接处的水桥，一旦关闭电场，裂隙位置会复现断裂的水桥。本文提出了通过在大裂隙纳米管外同轴包覆一条完整的纳米管的方法，实现一种主动修复断裂纳米管连接处的水桥。包覆纳米管的直径影响断裂纳米管内水分子的占据数、单位时间流量、运动速度及结构。本文对修复断裂纳米管连接处的水桥提供了一种新的角度。The challenge of transporting water molecules through one-dimensional large disjoint nanochannels arises from the break of the water bridge. Even under significant pressure differences, water molecules are difficult to transport through these large disjoint nanochannels. Restoring the broken water bridge is crucial for maintaining continuous water transport through disjoint nanochannels. Current repair methods, including the application of uniform or terahertz electric fields, are passive solutions that cease to work once the fields are removed, resulting in the reappearance of the broken bridge. In this study, molecular dynamics simulations are employed to investigate water transport through disjoint nanochannels featuring a large nanogap, mediated by covering a coaxial nanochannel. The results reveal that as the diameter of the covered nanochannel decreases, the peak interaction between water molecules and the nanochannel decreases, facilitating the reformation of the water bridge within the nanogap region. The water transfer rate through the disjoint nanochannel exhibits a non-monotonic dependence on the covered nanochannel diameter: it increases rapidly initially, then decreases with further diameter expansion, eventually reaching a relatively stable flow rate. Increasing the diameter of the covered nanochannel enhances water occupancy within the disjoint nanochannel, while the velocity and order parameter of water molecules display an initial increase followed by a decrease with further diameter expansion. These results provide significant insights into understanding the influence of covered nanochannels on water transport through disjoint nanochannels and developing novel approaches for repairing broken water bridges in disjoint nanochannel systems
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Keywords:
- Water molecules /
- Disjoint nanochannels /
- Repair
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