Molecular dynamics simulations of gas flow in nanochannel with a Janus interface

Abstract

It is interesting to investigate fluid flow in nanochannel with a Janus interface (NCJI), especially when considering the asymmetric situations of wettability in the biology. The simulation results show that the temperature has a significant influence on the particle number near the hydrophilic surface because the desorption increases with the fluid temperature, while the external force has a little influence on the mass distribution. Because the viscosity of gas increases with temperature, the flow velocity of gas in NCJI decreases as the wall temperature increases. The flow in NCJI is neither Poiseuille-like nor plug-flow behaviors. This particular form of flow may be able to help us invent new nano-devices

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Surface Nanostructure–Wettability Coupling Leads to Unique Topological Evolution Dictating Water Transport over Nanometer Scales

“…The density structuration is a distinctive phenomenon in nanoscale due to the solid–liquid interaction effects . A zone with high density close to the solid walls is observed where the wall adsorption of the liquid molecules is prominent . A precise quantitative variation of local number density for all of the geometric parameters of the triangular nanogroove along with two different external forces is further obtained and is shown in Figure b.…”

“…38 A zone with high density close to the solid walls is observed where the wall adsorption of the liquid molecules is prominent. 39 A precise quantitative variation of local number density for all of the geometric parameters of the triangular nanogroove along with two different external forces is further obtained and is shown in Figure 3b. It is evident from Figure 3b that the number density profile is oscillatory in the vicinity of the solid interface due to strong solid−liquid interactions.…”

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