A Molecular Dynamics Study of Heat Transfer Enhancement during Phase Change from a Nanoengineered Solid Surface

AKMM Morshed and MR Bin Shahadat and MRH Roni and AS Masnoon and SAA Shamim and TC Paul, PROCESSES, 9, 715 (2021).

DOI: 10.3390/pr9040715

This study investigates the enhancement of the rate of evaporation from a nanoengineered solid surface using non-equilibrium molecular dynamics simulation. Four different types of surface modifications were introduced to examine the thermal transportation behavior. The surface modification includes: (1) transformation of surface wetting condition from hydrophobic to hydrophilic, (2) implementing nanostructures on the smooth surface, (3) cutting nano slots on the smooth surface and (4) introducing nano-level surface roughness. Evaporation behavior from the same effective surface area was also studied. The simulation domain consisted of three distinct zones: solid base wall made of copper, a few layers of liquid argon, and a vapor zone made of argon. All the nano- level surface modifications were introduced on the solid base surface. The few layers of liquid argon representing the liquid zone of the domain take heat from the solid surface and get evaporated. Outside this solid and liquid zone, there is argon vapor. The simulation began at the initial time t = 0 ns and then was allowed to reach equilibrium. Immediately after equilibrium was achieved on all three-phase systems, the temperature of the solid wall was raised to a higher value. In this way, thermal transportation from the solid wall to liquid argon was established. As the temperature of the solid wall was high enough, the liquid argon tended to evaporate. From the simulation results, it is observed that during the transformation from hydrophobic to hydrophilic conditions, enhancement of evaporation takes place due to the improvement of thermal transportation behavior. At the nanostructure surface, the active nucleation sites and effective surface area increase which results in evaporation enhancement. With nano slots and nano-level surface roughness, the rate of evaporation increases due to the increase of solid-liquid contact area and effective surface area.

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