ISSN Online: 2377-424X
ISBN Print: 978-1-56700-421-2
International Heat Transfer Conference 15
A Simulation Study Into the Thermodynamic Properties of Water-Alcohol Mixtures
Abstract
The sensitivity of thermodynamic properties of alcohol-water mixtures to the atomic make-up of the alcohol
has resulted in significant interest in understanding such mixtures from a molecular perspective. Advances in
both computational power and models meanwhile offer the means for deeper investigation into such properties
using molecular simulation, and in this manuscript we describe studies into the thermodynamic properties of
an alcohol-water mixture using Molecular Dynamics simulation, along with experimental validation.
KEY WORDS:
Water, Alcohol, Molecular Dynamics, Simulation, Mixing, Viscosity, Free-energy, Solvation, Heat capacity, Non-equilibrium