| Titre : | Incremental identification of reaction and mass – transfer kinetics using the concept of extents (2012) |
| Auteurs : | Nirav Bhatt, Auteur ; Michael Amrhein, Auteur ; Dominique Bonvin, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 50 N° 23, Décembre 2011) |
| Article en page(s) : | pp. 12960–12974 |
| Note générale : | Chimie industrielle |
| Langues : | Anglais |
| Tags : | Mass transfer Kinetics |
| Résumé : | This paper proposes a variation of the incremental approach to identify reaction and mass-transfer kinetics from concentration measurements for both homogeneous and gas–liquid reaction systems. This incremental approach proceeds in two steps: (i) computation of the extents of reaction and mass transfer from concentration measurements without explicit knowledge of the reaction and mass-transfer rate expressions, and (ii) estimation of the rate parameters for each rate expression individually from the computed extents using the integral method. The novelty consists in using extents, thereby avoiding differentiation of measured concentrations. For the computation of extents, two cases are considered: a linear transformation is used if the concentrations of all liquid-phase species can be measured; otherwise, if the concentrations of only a subset of the liquid-phase species are available, an approach that uses additional measurements of flow rates and possibly gas-phase concentration is proposed. The incremental identification approach is illustrated in simulation via two reaction systems, namely, the homogeneous acetoacetylation of pyrrole and the gas–liquid chlorination of butanoic acid. |
| DEWEY : | 660 |
| ISSN : | 0888-5885 |
| En ligne : | http://pubs.acs.org/doi/abs/10.1021/ie2007196 |
