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Molecular thermodynamic modeling of mixed solvent solubility / Martin D. Ellegaard in Industrial & engineering chemistry research, Vol. 49 N° 22 (Novembre 2010) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 49 N° 22 (Novembre 2010) . - pp. 11620-11632 Titre : Molecular thermodynamic modeling of mixed solvent solubility Type de document : texte imprimé Auteurs : Martin D. Ellegaard, Auteur ; Jens Abildskov, Auteur ; John P. O’Connell, Auteur Année de publication : 2011 Article en page(s) : pp. 11620-11632 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Solubility  Mixed  solvent  Modeling Résumé : A method based on statistical mechanical fluctuation solution theory for composition derivatives of activity coefficients is employed for estimating dilute solubilities of 11 solid pharmaceutical solutes in nearly 70 mixed aqueous and nonaqueous solvent systems. The solvent mixtures range from nearly ideal to strongly nonideal. The database covers a temperature range from 293 to 323 K. Comparisons with available data and other existing solubility methods show that the method successfully describes a variety of observed mixed solvent solubility behaviors using solute-solvent parameters from global regression of ternary data as well as predictions based on pure solvent solubilities with an average error of about 10% on mole fractions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23437861 [article] Molecular thermodynamic modeling of mixed solvent solubility [texte imprimé] / Martin D. Ellegaard, Auteur ; Jens Abildskov, Auteur ; John P. O’Connell, Auteur . - 2011 . - pp. 11620-11632. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 49 N° 22 (Novembre 2010) . - pp. 11620-11632 Mots-clés : Solubility  Mixed  solvent  Modeling Résumé : A method based on statistical mechanical fluctuation solution theory for composition derivatives of activity coefficients is employed for estimating dilute solubilities of 11 solid pharmaceutical solutes in nearly 70 mixed aqueous and nonaqueous solvent systems. The solvent mixtures range from nearly ideal to strongly nonideal. The database covers a temperature range from 293 to 323 K. Comparisons with available data and other existing solubility methods show that the method successfully describes a variety of observed mixed solvent solubility behaviors using solute-solvent parameters from global regression of ternary data as well as predictions based on pure solvent solubilities with an average error of about 10% on mole fractions. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=23437861