Calculations of the Structural Parameters of Aqueous Solutions
of Propanol by the Monte Carlo Method

A. A. Atamas’, N. A. Atamas’, and L. A. Bulavin

Taras Shevchenko Kiev National University, Kiev, Ukraine

e-mail: atamasphys@univ.kiev.ua

Received March 3, 2008

Abstract—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.

DOI: 10.1134/S003602440905015X

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