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

摘要

Aqueous solutions of propanol were systematically studied by the Monte Carlo method over a wideconcentration range at 273 K. The radial distribution functions were calculated and analyzed. This allowed usto perform a detailed analysis of changes in the local structure in the propanol–water system as the content ofthe alcohol in water increased