%0 Journal Article
	%A Atamas N. A. and  Atamas A. A.
	%D 2009
	%J International Journal of Chemical and Molecular Engineering
	%B World Academy of Science, Engineering and Technology
	%I Open Science Index 31, 2009
	%T The Investigations of Water-ethanol Mixture by Monte Carlo Method
	%U https://publications.waset.org/pdf/4032
	%V 31
	%X Energetic and structural results for ethanol-water mixtures as a function of the mole fraction were calculated using Monte Carlo methodology. Energy partitioning results obtained for equimolar water-ethanol mixture and ether organic liquids are compared. It has been shown that at xet=0.22 the RDFs for waterethanol and ethanol-ethanol interactions indicated strong hydrophobic interactions between ethanol molecules and the local structure of solution is less structured at this concentration as at ether ones. Results obtained for ethanol-water mixture as a function of concentration are in good agreement with the experimental data.

	%P 318 - 321