Evaporation-driven liquid flow through nanochannels has attracted extensive attention over recent years due to its applications in mass and heat transfer as well as energy harvesting. A more comprehensive understanding is still expected to reveal the underlying mechanisms and quantitatively elucidate the transport characteristics of this phenomenon. In this study, we investigated evaporation-driven liquid flow through nanochannels using molecular dynamics simulations. The evaporation flux from the solid-liquid interface was higher than that from the middle region of the channel or the liquid-vapor interface. This finding may explain why experimental observations of evaporation flux through nanochannels exceed the limits predicted by the classical Hertz–Knudsen equation. Upon increasing the interaction strength between liquid atoms, the liquid exhibited enhanced solid-liquid interfacial evaporation and higher surface tension, albeit with reduced total flux. We also found that lyophilic channels exhibited higher evaporation fluxes than lyophobic channels, which can be interpreted by a Gibbs free energy analysis. The energy conversion analysis indicated that the effective pressure gradient exerted on a liquid flow by evaporation depends on the channel length. This was consistent with our simulations. Evaporation-driven liquid flow through nanochannels could be modeled quantitatively using this knowledge.
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