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Calculation of solubilities of the pesticides diuron and monuron in organic nonelectrolyte solvents using UNIFAC and modified UNIFAC (dortmund) models
Author(s) -
Riverol Carmen,
Hansen Henrik K.,
Acree William
Publication year - 2002
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450800326
Subject(s) - unifac , chemistry , solubility , organic solvent , solvent , activity coefficient , organic chemistry , thermodynamics , aqueous solution , chemical engineering , engineering , physics
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.