Numerical study of obstacle effect on atomic behavior of argon fluid flow inside a nanochannel with molecular dynamics approach

KR Zeng and DA Smait and AQ Mohammed and AM Kadim and RM AL-Khafaji and SE Izzat and AH Adhab and AH Lafta and SK Hadrawi and A Alizadeh and M Hekmatifar, JOURNAL OF MOLECULAR LIQUIDS, 363, 119954 (2022).

DOI: 10.1016/j.molliq.2022.119954

Various fluids are implemented for mass/heat transfer procedures in industrial applications. These struc-tures' behavior inside the metallic nanochannels (NCs) in the presence of the obstacle was described. To this end, the Molecular Dynamics Simulation (MDS) is performed using the LAMMPS package. The vari-ous atomic forces in defined structures are defined using Universal Force Field (UFF) and Embedded Atom Model (EAM). In addition, physical parameters such as temperature (T), potential energy (PE), Radial Distribution Function (RDF), profiles of density (D)/velocity(V)/T, position histogram, trajectory lines, and interaction energy are reported for description of nanofluid (NF) flow. MDS results display the equi-librium of Ar (as fluid) and Pt (as NC) in the presence of obstacles after t = 20 ns. Also, our simulations predict that the obstacles increase/decrease the average values of fluid adsorption/mobility inside the NC.(c) 2022 Elsevier B.V. All rights reserved.

Return to Publications page