Calculations of the structural parameters of aqueous solutions of propanol by the Monte Carlo method

Aqueous solutions of propanol were systematically studied by the Monte Carlo method over a wide concentration range at 273 K. The radial distribution functions were calculated and analyzed. This allowed us to perform a detailed analysis of changes in the local structure in the propanol-water system...

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Bibliographic Details
Published in:Russian Journal of Physical Chemistry A 2009-05, Vol.83 (5), p.763-770
Main Authors: Atamas’, A. A., Atamas’, N. A., Bulavin, L. A.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Physical Chemistry
Physical Chemistry of Solutions
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Summary:Aqueous solutions of propanol were systematically studied by the Monte Carlo method over a wide concentration range at 273 K. The radial distribution functions were calculated and analyzed. This allowed us to perform a detailed analysis of changes in the local structure in the propanol-water system as the content of the alcohol in water increased.
ISSN:0036-0244
1531-863X
DOI:10.1134/S003602440905015X