The effect of water/carbon interaction strength on interfacial thermal resistance and the surrounding molecular nanolayer of CNT and graphene nanoparticles

TL;DR

This study uses molecular dynamics simulations to explore how water/carbon interaction strength affects interfacial thermal resistance and nanolayer structure around CNT and graphene nanoparticles, revealing key dependencies and proposing a correlation.

Contribution

It introduces a new correlation for thermal resistance based on wettability, considering nanoparticle size and interaction strength, advancing understanding of nanoscale heat transfer.

Findings

Kapitza resistance decreases with increasing water/carbon interaction strength.

Nanolayer thickness is independent of interaction strength.

Smaller CNT diameters attract more fluid and reduce thermal resistance.

Abstract

Heat transfer at the liquid/solid interface, especially at the nanoscale, has enormous importance in nanofluids. This study investigates liquid/solid interfacial thermal resistance and structure of the formed molecular nanolayer around a carbon-based nanoparticle. Employing non-equilibrium molecular dynamics simulation and thermal relaxation method, the nanofluid systems with different nanoparticle diameters and different surface wettability were investigated. Simulation results show that carbon nanotubes (CNTs) with a smaller diameter attract more value of the base fluid and lead to a reduced Kapitza resistance. It was found that the thickness of the nanolayer around the nanoparticle is independent of the water/carbon interaction strength. Also, the value of the Kapitza resistance decreases with increasing the interaction strength. Ultimately, a correlation was proposed for the thermal resistance of CNT/water and graphene/water nanofluids in terms of wettability intensity of nanoparticle surface. The proposed correlation in addition to fitting to simulation results can cover the physical conditions of the system.