Study of Chemical Interactions in Binary mixture water-1,4-dioxane : Neighbourhood and Associated Model Approach
Abstract
We use our results of measurements of the activities coefficients of water and 1,4-dioxane at room conditions to analyse the interactions between molecules of water and 1,4-dioxane in different mixtures. Our study is based on “ Neighbourhood Model Approach †at liquid state in correlation with solid state to calculate molar fractions of free molecules of water and of 1,4-dioxane in pure liquid state and to deduce the composition of the various mixtures. We calculate system composition in a basis of associate model (called). This model gives good results to interpreting interactions between molecules of water and of 1,4-dioxane.
Our model is inspired by resulting experimental recently published by our team, witch measurements of the enthalpy of mixture: ï„mh (XD), present two maxima for molecular fraction of 1,4-dioxane XD = 0.1438 and XD = 0.7805, which correspond to arrangements between molecules of water and 1,4-dioxane of type WD3.56, and DW5.95 (D: 1,4-dioxane– W: water)
We use, for the study of the model suggested, a number of 4 neighbours molecules in the first shell surrounding one molecule of water and 6 neighbours molecules for one molecule of 1,4-dioxane.
Our observations confirm well the results of works of many authors by different technical methods.
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DOI: http://dx.doi.org/10.13171/mjc.1.6.2012.05.06.12
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