Effects of roughness and radius of nanoparticles on the condensation of nanofluid structures with molecular dynamics simulation: Statistical approach

• Published in: Journal of the Taiwan Institute of Chemical Engineers 2021-11, Vol.128, p.346-353
• Main Authors: Cui, Hongwei, Saleem, S., Jam, Jafar Eskandari, Beni, Mohsen Heydari, Hekmatifar, Maboud, Toghraie, Davood, Sabetvand, Roozbeh
• Format: Article
• Language: English
• Subjects: Molecular Dynamics Simulation; Nanoparticles; Phase Transition; Roughness
• ISSN: 1876-1070; 1876-1089
• DOI: 10.1016/j.jtice.2021.09.005

•Molecular dynamics method to estimate the outcomes of the atomic properties was used.•By changing the roughness to square cubic and rectangular cubic, the heat flux was increased.•The heat flux was increased by increasing the number of barriers from 4 to 25.•The addition of Cu nanoparticles was increased the thermal conductivity. M.D. simulation is a kind of computational branch of physics. In this method, the interaction between particles at intervals of time according to physics laws is simulated by a computer. In this computational study, metallic nanoparticles' effect in a phase transition of atomic fluid is described. In this research, the molecular dynamics (M.D.) method was used by Argon (Ar) atoms simulations as base fluid and copper (Cu) structure as nanoparticles between Platinum (Pt) walls. Further, the atomic barrier with cubic and rectangular shapes in simulated walls was intended for more atomic analysis of fluid/nanofluid. Some parameters such as potential energy, temperature, and thermal conductivity were reported for the atomic behavior description of defined structures. Also, in this study, change the number of roughness and changes in the radius of copper nanoparticles in the simulation structure were investigated. The MD results show that simulated structures reach to equilibration phase after 2000000-time steps. Further, the heat flux increases by atomic barrier inserting into Pt walls. As a result, more fluid particles show the phase phenomenon in the M.D. box. Also, the addition of Cu nanoparticles to the Ar fluid shows a similar result in which these nanoparticles improve the base fluid's thermal behavior. Finally, the number of condensed argon fluid particles into the liquid phase increases from 3221 to 3347 particles. [Display omitted]