The Effect of AIREBO on Thermal Conductivity of EPDM Networks

In this article, thermal conductivity of EPDM networks has been discussed using molecular dynamics simulations. The simulations are performed on four systems using adaptive intermolecular reactive empirical bond order (AIREBO) potential. The effect of Lennard-Jones (L-J) potential and torsion potential on thermal conductivity is discussed. The contribution of L-J potential to thermal conductivity is negative. However, contribution of torsion potential is positive. The results suggest that the randomly entanglement of molecular chains in EPDM networks is responsible for its low thermal conductivity.