Molecular dynamics simulations reveal that coaxial nanochannel coverage impacts water transport in disjoint nanochannels, suggesting new repair methods.
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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Xianwen Meng (2025) studied this question.
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