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Thermodynamic modeling of the aqueous solubility of PAHs / Mariana B. Oliveira in Industrial & engineering chemistry research, Vol. 48 N° 11 (Juin 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 11 (Juin 2009) . - pp. 5530–5536 Titre : Thermodynamic modeling of the aqueous solubility of PAHs Type de document : texte imprimé Auteurs : Mariana B. Oliveira, Auteur ; Vera L. Oliveira, Auteur ; João A.P. Coutinho, Auteur Année de publication : 2009 Article en page(s) : pp. 5530–5536 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Polycyclic  aromatic  hydrocarbons  Aqueous  solubilities  CPA  EoS Résumé : Polycyclic aromatic hydrocarbons (PAHs) are a family of compounds characterized by having two or more condensed aromatic rings. They are important environmental contaminants associated with oil spills and the incomplete combustion of organic materials. Different models are available in the literature for estimating the aqueous solubilities of organic compounds, but the most accurate are frequently based on the correlation of experimental data, which hampers their use as predictive tools. In this work, the cubic-plus-association equation of state (CPA EoS) is shown to be an accurate model for describing the aqueous solubilities of several solid PAHs in wide temperature and pressure ranges. The results obtained are in very close agreement with the literature data, even when the model is used in a totally predictive scheme. Following previous results on the aqueous solubilities of other organic pollutants, the use of the CPA EoS for describing the aqueous solubilities of organic pollutants such as polycyclic aromatic hydrocarbons is suggested. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900011g [article] Thermodynamic modeling of the aqueous solubility of PAHs [texte imprimé] / Mariana B. Oliveira, Auteur ; Vera L. Oliveira, Auteur ; João A.P. Coutinho, Auteur . - 2009 . - pp. 5530–5536. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 11 (Juin 2009) . - pp. 5530–5536 Mots-clés : Polycyclic  aromatic  hydrocarbons  Aqueous  solubilities  CPA  EoS Résumé : Polycyclic aromatic hydrocarbons (PAHs) are a family of compounds characterized by having two or more condensed aromatic rings. They are important environmental contaminants associated with oil spills and the incomplete combustion of organic materials. Different models are available in the literature for estimating the aqueous solubilities of organic compounds, but the most accurate are frequently based on the correlation of experimental data, which hampers their use as predictive tools. In this work, the cubic-plus-association equation of state (CPA EoS) is shown to be an accurate model for describing the aqueous solubilities of several solid PAHs in wide temperature and pressure ranges. The results obtained are in very close agreement with the literature data, even when the model is used in a totally predictive scheme. Following previous results on the aqueous solubilities of other organic pollutants, the use of the CPA EoS for describing the aqueous solubilities of organic pollutants such as polycyclic aromatic hydrocarbons is suggested. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900011g