Abstract

Mathematically 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}, FFAM fairly agrees with MDS for all the cases. The study values FFAM in simulating nanochannel flows.

Highlights

  • As a new corroboration work, the present paper presents the direct comparison between flow factor approach model (FFAM) and molecular dynamics simulation (MDS) in the calculated flow velocity profiles, by directly inputting the values of the characteristic parameters extracted from MDS to FFAM

  • The flow velocities in the nano slit pores in the Poiseuille flow were calculated from the flow factor approach model (FFAM) by using all the input parameter values obtained from molecular dynamics simulation (MDS)

  • It was found that FFAM well agrees with MDS because of the very close flow velocities calculated from these two approaches for the same cases

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Summary

The flow factor approach model for nanochannel flow

This model has been shown in details in Refs.[21,36,42]. I is the order number of the fluid molecule across the channel height, ua is the velocity of the (n − 1)th fluid molecule (on the upper solid wall), ub is the velocity of the 0th fluid molecule (on the lower solid wall), p is the driving pressure, D is the fluid molecule diameter, x is the coordinate shown, and ηline,i−1 and i−1 are respectively the local viscosity and the separation between the ith and (i − 1)th fluid molecules across the channel height. In this model, it is assumed that the distribution of the separation between the neighboring fluid molecules across the channel height is symmetrical with respect to the median plane of the channel; it is taken that

Type MOPLS
Separation Value
Comparison of FFAM with MDS
Commenting remarks
Conclusions
Author contributions
Findings
Additional information
Full Text
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