Structure correlations of water molecules in a concentrated aqueous solution of ethanol

Monte Carlo calculation results for water–ethanol mixtures calculated in the isothermal and isobaric ensemble at T=300 K are presented. The analysis of the radial distribution functions for hydrogen bonding between ethanol molecule and water molecules was done. The concentrations of ethanol 0.75 show characteristics features of hydrogen-bonded liquids. The influence of the polar solvent molecule on water local structure and the hydrogen bond nets ware analyzed. Radial distribution functions for water–water interactions calculated in pure water and water–ethanol system are compared.