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Computational fluid dynamics simulation of a three - dimensional catalytic layer for decane oxidation / Alessio Caravella in Industrial & engineering chemistry research, Vol. 50 N° 21 (Novembre 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 21 (Novembre 2011) . - pp. 11879–11888 Titre : Computational fluid dynamics simulation of a three - dimensional catalytic layer for decane oxidation : case study of reaction on particle surface Type de document : texte imprimé Auteurs : Alessio Caravella, Auteur ; Shigeki Hara, Auteur ; Nobuo Hara, Auteur Année de publication : 2011 Article en page(s) : pp. 11879–11888 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Fluid  dynamics  Decane  oxidation Résumé : Computational fluid dynamics (CFD) simulations of a reactive catalytic layer of micrometer-sized particles with a submicrometer interparticle distance for decane oxidation are described. The investigation used two main approaches. The heterogeneous approach simulates particles at the reactive particle surface, by use of a monodispersed face-centered cubic structure of eight unit cells in series. In contrast, the pseudohomogeneous approach investigates the particle system as a homogeneous system (approximation) having dimensions and geometrical properties (tortuosity and porosity) identical to those of the heterogeneous one. Heterogeneous system results show that mass transfer resistance can be regarded as negligible in the whole range of parameters investigated (temperature and interparticle distance). Particularly, the difference in results obtained by the two approaches is negligible up to the highest temperature considered (400 °C), with a maximum discrepancy of about 2.4%. An analogous result is found through study of the effect of interparticle distance, which indicates that, under the conditions investigated, the pseudohomogeneous approach can be used effectively to simulate particle systems with micrometer-order length and submicrometer interparticle distance. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201225r [article] Computational fluid dynamics simulation of a three - dimensional catalytic layer for decane oxidation : case study of reaction on particle surface [texte imprimé] / Alessio Caravella, Auteur ; Shigeki Hara, Auteur ; Nobuo Hara, Auteur . - 2011 . - pp. 11879–11888. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 21 (Novembre 2011) . - pp. 11879–11888 Mots-clés : Fluid  dynamics  Decane  oxidation Résumé : Computational fluid dynamics (CFD) simulations of a reactive catalytic layer of micrometer-sized particles with a submicrometer interparticle distance for decane oxidation are described. The investigation used two main approaches. The heterogeneous approach simulates particles at the reactive particle surface, by use of a monodispersed face-centered cubic structure of eight unit cells in series. In contrast, the pseudohomogeneous approach investigates the particle system as a homogeneous system (approximation) having dimensions and geometrical properties (tortuosity and porosity) identical to those of the heterogeneous one. Heterogeneous system results show that mass transfer resistance can be regarded as negligible in the whole range of parameters investigated (temperature and interparticle distance). Particularly, the difference in results obtained by the two approaches is negligible up to the highest temperature considered (400 °C), with a maximum discrepancy of about 2.4%. An analogous result is found through study of the effect of interparticle distance, which indicates that, under the conditions investigated, the pseudohomogeneous approach can be used effectively to simulate particle systems with micrometer-order length and submicrometer interparticle distance. DEWEY : 660 ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie201225r