Thermal performance of bio‐nanofluid dihydrolevoglucosenone: Experimental and atomistic simulation investigations

Abstract This work presents findings on using a bio‐nanofluid‐containing Cyrene as a potential bio‐organic thermal base fluid. The fluid thermal properties can be enhanced with 0.03 vol% carboxylic functionalized multiwalled carbon nanotube (MWCNT‐COOH) to boost its heat transfer capabilities. The study compares the findings with the commercially available heat transfer fluids, that is, Paratherm GLT and Therminol 55. Furthermore, the stability of the nanofluid was assessed using experiments and atomistic simulation. Additionally, thermophysical characteristics such as thermal conductivity, density, viscosity, and specific heat () were measured. The thermal conductivity at various weight percentages of nanoparticles was determined using the reverse non‐equilibrium molecular dynamics (NEMD) simulations and validated with experimental values. The microstructure of Cyrene on the surface of a single‐walled carbon nanotube (SWCNT) and SWCNT‐COOH was examined using density functional theory (DFT) calculations. Our study shows that the composition of CNTs and the nanofluid temperature significantly impact the thermal conductivity of pure Cyrene.