[article]
Titre : |
Oxidative photomineralization of dichloroacetic acid in an externally-irradiated rectangular bubble tank reactor: computational fluid dynamics modeling and experimental verification studies |
Type de document : |
texte imprimé |
Auteurs : |
Francisco J. Trujillo, Auteur ; Tomasz Safinski, Auteur ; Adesoji A. Adesina, Auteur |
Année de publication : |
2010 |
Article en page(s) : |
pp 6722–6734 |
Note générale : |
Chimie industrielle |
Langues : |
Anglais (eng) |
Mots-clés : |
Oxidative photomineralization Fluid dynamics. |
Résumé : |
The effect of antecedent factors on the performance of an aerated tank photoreactor containing externally irradiated suspended titania particles has been carried out using the oxidative photomineralisation of dichloroacetic acid (DCA) as the model reaction. The phase hold-up contours, velocity distribution profiles, and the spatial variation of the incident radiative flux as well as the local volumetric rate of photon absorption (LVPRA) inside the reactor were obtained from computational fluid dynamics (CFD) simulation based on the simultaneous solution of the Navier−Stokes equation (NSE) and radiation transport equation (RTE). The species modeling equation (SME) for the oxidative decomposition of DCA to HCl and CO2 was then coupled to the NSE and RTE to determine the influence of catalyst loading, air superficial velocity, pollutant concentration, and radiation intensity on the reactor performance. The SME utilized the intrinsic kinetic expression provided by Zalazar et al. [Chem. Eng. Sci. 2005, 60, 5240−5254] with rate parameters secured from a preliminary fit of our experimental data. The good agreement between numerical results and empirical data for practically all predictor variables suggest that CFD modeling is a reliable and valid tool for the design and evaluation of the new photoreactor system and may in fact be used as a surrogate for subsequent optimization studies. Within the range of variables examined, it is evident that although reaction rate initially increased with air flow rate, a “plateau” was attained after about 30 L min−1. The rate also exhibited a maximum at a catalyst loading of about 2.5 g L−1 while a characteristic Langmuir-type dependency on DCA concentration was observed. However, reaction rate varied only linearly with light intensity indicating the absence of deleterious hole−electron recombination at the relatively low values (20−80 W m−2) employed. |
DEWEY : |
660 |
ISSN : |
0888-5885 |
En ligne : |
http://pubs.acs.org/doi/abs/10.1021/ie901364z |
in Industrial & engineering chemistry research > Vol. 49 N° 15 (Août 2010) . - pp 6722–6734
[article] Oxidative photomineralization of dichloroacetic acid in an externally-irradiated rectangular bubble tank reactor: computational fluid dynamics modeling and experimental verification studies [texte imprimé] / Francisco J. Trujillo, Auteur ; Tomasz Safinski, Auteur ; Adesoji A. Adesina, Auteur . - 2010 . - pp 6722–6734. Chimie industrielle Langues : Anglais ( eng) in Industrial & engineering chemistry research > Vol. 49 N° 15 (Août 2010) . - pp 6722–6734
Mots-clés : |
Oxidative photomineralization Fluid dynamics. |
Résumé : |
The effect of antecedent factors on the performance of an aerated tank photoreactor containing externally irradiated suspended titania particles has been carried out using the oxidative photomineralisation of dichloroacetic acid (DCA) as the model reaction. The phase hold-up contours, velocity distribution profiles, and the spatial variation of the incident radiative flux as well as the local volumetric rate of photon absorption (LVPRA) inside the reactor were obtained from computational fluid dynamics (CFD) simulation based on the simultaneous solution of the Navier−Stokes equation (NSE) and radiation transport equation (RTE). The species modeling equation (SME) for the oxidative decomposition of DCA to HCl and CO2 was then coupled to the NSE and RTE to determine the influence of catalyst loading, air superficial velocity, pollutant concentration, and radiation intensity on the reactor performance. The SME utilized the intrinsic kinetic expression provided by Zalazar et al. [Chem. Eng. Sci. 2005, 60, 5240−5254] with rate parameters secured from a preliminary fit of our experimental data. The good agreement between numerical results and empirical data for practically all predictor variables suggest that CFD modeling is a reliable and valid tool for the design and evaluation of the new photoreactor system and may in fact be used as a surrogate for subsequent optimization studies. Within the range of variables examined, it is evident that although reaction rate initially increased with air flow rate, a “plateau” was attained after about 30 L min−1. The rate also exhibited a maximum at a catalyst loading of about 2.5 g L−1 while a characteristic Langmuir-type dependency on DCA concentration was observed. However, reaction rate varied only linearly with light intensity indicating the absence of deleterious hole−electron recombination at the relatively low values (20−80 W m−2) employed. |
DEWEY : |
660 |
ISSN : |
0888-5885 |
En ligne : |
http://pubs.acs.org/doi/abs/10.1021/ie901364z |
|