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

2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Chuntao Jiang ◽  
Yongbin Zhang

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.

2013 ◽  
Vol 446-447 ◽  
pp. 12-17
Author(s):  
Zhi Hong Mao ◽  
Fu Bing Bao ◽  
Yuan Lin Huang

Molecular dynamics simulation method was used to study the rarefied gaseous flows in nanochannels. A pressure-driven force was introduced to drive the gas to flow between two parallel walls. The effects of driven force magnitude and channel height were investigated. The results show that a single layer of gaseous molecules is adsorbed on the wall surface. The density of adsorption layer decreases with the increase of channel height, but doesnt vary with driven force. The velocity profile across the channel has the traditional parabolic shape. The average velocity and gas slip velocity on the wall increase linearly with the increase of pressure-driven force. The gas slip velocity decreases linearly with the increase of channel height. The ratio of slip to average velocity decreases linearly with the increase of channel height.


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