| Titre : | Mechanistic modeling of hydrolysis and esterification for biofuel processes (2012) |
| Auteurs : | Shujauddin Changi, Auteur ; Tanawan Pinnarat, Auteur ; Phillip E. Savage, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 50 N° 22, Novembre 2011) |
| Article en page(s) : | pp. 12471-12478 |
| Note générale : | Chimie industrielle |
| Langues : | Anglais |
| Tags : | Esterification Hydrolysis Modeling |
| Résumé : | We have elucidated the mechanism for ethyl oleate hydrolysis in high temperature water and its reverse reaction, oleic acid esterification in near- and supercritical ethanol in the absence of any other added compounds. Both reactions are acid catalyzed. H+ (from dissociation of water and oleic acid) and oleic acid serve as catalysts for hydrolysis and H+ alone is the catalyst for esterification. The rate equation arising from the proposed mechanism provided a good fit of experimental conversion data for both hydrolysis and esterification. The rate equation accurately predicted the influence of pH on hydrolysis for acidic and near-neutral conditions. The mechanistic model exhibits the ability to make quantitatively accurate predictions within and outside the original parameter space, especially for a multicomponent system. Sensitivity analysis shows that the values of the dissociation constant of oleic acid in ethanol, water, and ethanol-water systems strongly influence the predicted conversions. There is a need for experimental measurement of pKa for fatty acids in both water and alcohols at elevated temperatures. |
| DEWEY : | 660 |
| ISSN : | 0888-5885 |
| En ligne : | http://cat.inist.fr/?aModele=afficheN&cpsidt=24745720 |
