Prediction of aqueous solubilities of solid carboxylic acids with COSMO-RS

The methodology for the prediction of aqueous solubilities of solid organic compounds, and their temperature dependence, based on the Conductor-like Screening Model for Real Solvents (COSMO-RS/COSMO therm) procedure, is presented and evaluated. The predictive capability of the quantum chemistry base...

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Veröffentlicht in:	Fluid phase equilibria 2010-03, Vol.289 (2), p.140-147
Hauptverfasser:	Schröder, Bernd, Santos, Luís M.N.B.F., Marrucho, Isabel M., Coutinho, João A.P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous solubilities Carboxylic acids Chemistry Conductors (devices) COSMO therm COSMO-RS Enthalpies of solution Enthalpy Exact sciences and technology General and physical chemistry Liquid-solid equilibria Mathematical models Methodology Organic acids Phase equilibria Quantum chemistry Solubility Solvents Temperature dependence
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