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Calculation of solubilities of the pesticides diuron and monuron in organic nonelectrolyte solvents using UNIFAC and modified UNIFAC (dortmund) models
Authors:Carmen Riverol  Henrik K. Hansen  William Acree
Abstract:The solubility of diuron (3‐(3,4‐dichlorophenyl)‐1, 1 ‐dimethyl urea) and monuron (3‐(4‐chlorophenyl)‐1, 1 ‐dimethyl urea) in 49 and 43 different organic non‐electrolyte solvents, respectively, have been calculated. It was found that Modified UNIFAC described well the solubilities both in polar solvents like alcohols, ketones, esters and ethers and in nonpolar solvents like alkanes and aromatic hydrocarbons. UNIFAC and the mobile order theory supplement each other well in calculating the solubilities, which means that one can choose the right model depending on the solvent one is using.
Keywords:solubilities  pesticide  UNIFAC  modified UNIFAC  mobile order theory
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