B211 Molecular dynamics simulation of Ethylene Glycol and Water mixtures

Here we detail a study into the thermo-physical properties of a solution of ethylene glycol. We demonstrate how viscosity varies smoothly with glycol mole-fraction, but thermal conductivity less-so. The thermo-physical properties of liquids depend on the molecular composition, both in terms of the structure of the molecules and the interactions between them, and molecular simulation is a useful tool to extract this information. Consequently we conduct molecular dynamics simulations to elucidate the reasons for the non-smooth variation of thermal conductivity, showing the important role that disruption of water-water interaction by the glycol plays.