Molecular dynamics simulation of obstacle number effect on heat and mass transfer of argon flow inside the platinum nanochabnnels

J Chen and ZM Saleh and N Saadoon and MMA Zahra and MG Said and US Altimari and AH Adhab and ES Abood and SK Hadrawi and A Alizadeh and M Hekmatifar, JOURNAL OF MOLECULAR LIQUIDS, 363, 119871 (2022).

DOI: 10.1016/j.molliq.2022.119871

Nanochannels (NCs) are structures for mass transfer (MT) and heat transfer (HT) procedures in actual usages. Prior reports display the atomic behavior of various fluids inside perfect NCs. This study uses the molecular dynamics simulation (MDS) to examine the impact of number of obstacles (N.Os) on argon flow inside Platinum NCs. Simulation outputs are presented by calculating the physical quantities such as temperature (T), potential energy (PE), density (D)/temperature (T)/velocity (V) profiles, and interaction energy (IE). MDS results show that as the N.O increases, the maximum density increases from 0.093 to 0.099 atom/& Aring;(3). The maximum velocity decreases from 0.0031 to 0.0025 & Aring;/ps by increasing the N.Os. The maximum temperature decreases from 329.46 to 318.43 K. By increasing the N.Os, the fluid particles' oscillations (FP) and their temperature also decrease. This mechanism can reduce the temperature in the HT process. In addition, with increasing the N.Oss from 1 to 4, the IE increases from -60.52 to -70.86 eV. This increase in IE can reduce the atomic stability of NCs. This behavior reduces the lifetime of NCs in heat/mass transfer processes. Therefore, it is expected that with the outcomes of the current examination and the control of the N.Os, we can optimize the various processes like MT and HT for industrial purposes. (C) 2022 Elsevier B.V. All rights reserved.

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