Investigation of nonlinear dielectric response of DMSO-methanol mixture by molecular dynamics simulation

Abstract

In continuation of our previous measurements on the interaction between DMSO-primary alcohol mixtures and microwaves, we investigated the nonlinear dielectric response of a DMSO-methanol mixture by molecular dynamics simulation. The intermolecular interaction energy, transport, and hydrogen bonding dynamics of the mixture reflecting the nonlinear dielectric response were measured. We observed a distinct threshold effect in which the intermolecular interaction energy, hydrogen bonding lifetime, diffusion coefficient, and the viscosity of the mixture were increased or decreased dramatically when the intensity of the microwave field exceeded a certain value. The present study also shows that the loss of microwave energy due to friction between the molecules cannot be ignored. This work reveals the extent of non-thermal microwave effects in the DMSO-Methanol mixture.