The effect of molecular elongation on the thermal conductivity of diatomic liquids was studied using a nonequilibrium molecular dynamics (NEMD) method. The simulations were performed using the nondimensional form of the potential so that the molecular elongation was the only parameter varied in the simulation. The results show that the contribution of the heat flux caused by rotational energy transfer to the thermal conductivity increases with the increase in the molecular elongation.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry