Direct matching between the flow factor approach model and molecular dynamics simulation for nanochannel flows

Abstract

AbstractMathematically formulating nanochannel flows is challenging. Here, the values of the characteristic parameters were extracted from molecular dynamics simulation (MDS), and directly input to the closed-form explicit flow factor approach model (FFAM) for nanochannel flows. By this way, the physical nature of the simulated system in FFAM is the same with that in MDS. Two nano slit channel heights respectively with two different liquid-channel wall interactions were addressed. The flow velocity profiles across the channel height respectively calculated from MDS and FFAM were compared. By introducing the equivalent value $${{\Delta_{im} } \mathord{\left/ {\vphantom {{\Delta_{im} } D}} \right. \kern-\nulldelimiterspace} D}$$ Δ im / D , FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows.