Model-based calculation of solid solubility for solvent selection / Hassan Modarresi in Industrial & engineering chemistry research, Vol. 47 n°15 (Août 2008)  

Public ISBD [article]  inIndustrial & engineering chemistry research > Vol. 47 n°15 (Août 2008) . - p. 5234–5242 Titre : Model-based calculation of solid solubility for solvent selection : a review Type de document : texte imprimé Auteurs : Hassan Modarresi, Auteur ; Elisa Conte, Auteur ; Jens Abildskov, Auteur Année de publication : 2008 Article en page(s) : p. 5234–5242 Note générale : Bibliogr. p. 5242 Langues : Anglais (eng) Mots-clés : Solvent selection  Solubility  Contribution−  atom connectivity models Résumé : Solvent selection is one of the major concerns in the early development of many chemicals-based products from the pharmaceutical, agrochemicals, food, and specialty chemicals industries. Because of the nature of the active chemicals in the product, the most important solvent property is the solubility of complex solids. Predictive models for estimation of solid solubility in different organic solvents, especially suitable for solvent-selection procedures, are reviewed. Also, schemes that can be employed for solvent selection and/or solubility calculation through limited available experimental data are reviewed. For initial solvent screening and for many solvent-based calculations, the Hansen solubility parameters are useful property values to have. For this purpose, new combined group contribution−atom connectivity models for predictions of the three Hansen solubility parameters with a very wide application range are presented. These models are able to predict the Hansen solubility parameters for organic chemicals with C, H, N, O, F, Cl, Br, I, S, and P atoms. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie0716363 [article] Model-based calculation of solid solubility for solvent selection : a review [texte imprimé] / Hassan Modarresi, Auteur ; Elisa Conte, Auteur ; Jens Abildskov, Auteur . - 2008 . - p. 5234–5242. Bibliogr. p. 5242 Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 47 n°15 (Août 2008) . - p. 5234–5242 Mots-clés : Solvent selection  Solubility  Contribution−  atom connectivity models Résumé : Solvent selection is one of the major concerns in the early development of many chemicals-based products from the pharmaceutical, agrochemicals, food, and specialty chemicals industries. Because of the nature of the active chemicals in the product, the most important solvent property is the solubility of complex solids. Predictive models for estimation of solid solubility in different organic solvents, especially suitable for solvent-selection procedures, are reviewed. Also, schemes that can be employed for solvent selection and/or solubility calculation through limited available experimental data are reviewed. For initial solvent screening and for many solvent-based calculations, the Hansen solubility parameters are useful property values to have. For this purpose, new combined group contribution−atom connectivity models for predictions of the three Hansen solubility parameters with a very wide application range are presented. These models are able to predict the Hansen solubility parameters for organic chemicals with C, H, N, O, F, Cl, Br, I, S, and P atoms. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie0716363

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