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Solubilities of anthracene, fluoranthene and pyrene in organic solvents: Comparison of calculated values using UNIFAC and modified UNIFAC (Dortmund) models with experimental data and values using the mobile order theory
Author(s) -
Hansen Henrik K.,
Riverol Carmen,
Acree William E.
Publication year - 2000
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.5450780619
Subject(s) - unifac , fluoranthene , chemistry , anthracene , solubility , pyrene , activity coefficient , organic chemistry , solvent , group contribution method , thermodynamics , phase equilibrium , aqueous solution , phase (matter) , physics
The solubility of anthracene in 43 organic solvents, fluoranthene (45 solvents) and pyrene (30 solvents) has been calculated using UNIFAC and Modified UNIFAC (Dortmund) models to estimate the activity coefficient of the solute. It was found that both UNIFAC and Modified UNIFAC described better the solubilities in polar solvents like alcohols, ketones, esters and ethers than 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.