Hydrogen Bond Distribution of N,N-Dimethyl formamide-Water Mixture in Microwave Fields by Molecular Dynamics Simulation

Abstract

Non-equilibrium molecular dynamics simulations of the aqueous solution of N,N-dimethyl formamide have been performed in the canonical ensemble in both the absence and presence of external electromagnetic (E/M) field. The results indicate that as the intensity of the electromagnetic filed increased, the radial distribution functions of the aqueous solution of N,N-dimethyl formamide became more pronounced. There appears to be a threshold microwave field intensity below which no tangible field effects are apparent, 10⁵ V/m, the lowest field strength used in this study, there was no significant effect on the systems structure. Microwave energy is partly transferred to intermolecular energies of mixture, which induce the change of angle distribution functions of the hydrogen bonding.