Investigation the atomic arrangement and stability of the fluid inside a rough nanochannel in both presence and absence of different roughness by using of accurate nano scale simulation

Pedram Alipour, Davood Toghraie and Arash Karimipour

Physica A: Statistical Mechanics and its Applications, 2019, vol. 524, issue C, 639-660

Abstract: The present study used molecular dynamics (MD) simulation to study the effects of external forces on the fluid flow passing through a nanochannel with different shapes of the interior wall. To this end, molecular dynamics simulation was employed to investigate the atomic arrangement and stability of the fluid inside a nanochannel in both presence and absence of rectangular and square cuboid, ellipsoid, and hemispheroid roughness. Moreover, the number density, velocity and temperature of argon flowing inside a Platinum nanochannel were investigated for a time step of 1,000,000 at external forces of 0.002, 0.0018, 0.0017, and 0.0014 eV/Å. The results obtained for each of the aforementioned models were compared with respect to the different thrust forces. Our results show that as the driving force increases from 0.0014 to 0.002 eV/Å, the velocity at the center of the nanochannel is increased approximately from 1.7 to 3.6 Å/ps while the velocity near the wall increases approximately from 0.5 to 1.4 Å/ps. Also, the temperature at the center of the nanochannel increases approximately from 355.2 to 536 K while the temperature near the wall increases approximately from 206.5 to 237.6 K.

Keywords: External force; Nanochannel; Molecular dynamics simulation; Argon; Roughness (search for similar items in EconPapers)
Date: 2019
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Citations: View citations in EconPapers (2)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:524:y:2019:i:c:p:639-660

DOI: 10.1016/j.physa.2019.04.243

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