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Modelling and simulations of a Monolith Reactor for three-phase hydrogenation reactions – Rules and recommendations for mass transfer analysis

Durán Martínez, Freddy-Libardo and Julcour-Lebigue, Carine and Billet, Anne-Marie and Larachi, Faïçal Modelling and simulations of a Monolith Reactor for three-phase hydrogenation reactions – Rules and recommendations for mass transfer analysis. (2016) Catalysis Today, 273. 121-130. ISSN 0920-5861

(Document in English)

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Official URL: http://dx.doi.org/10.1016/j.cattod.2016.04.009


A strategy for the scale-up of a monolith reactor dedicated to gas-liquid catalytic reactions is worked out; focus is made on the crucial step of gas-liquid mass transfer modelling via a steady-state numerical study based on a single channel and single unit cell representation, using a frame moving with the bubble and solving the liquid phase only. The relevance of this simplified approach is assessed through a specific case (given bubble shape, channel diameter and fluid flow rates), and hydrodynamics as well as mass transfer results are successfully compared to previously published numerical, semi-analytical and experimental works. Influence of unit cell length and of catalytic surface reaction rate is thoroughly investigated. Inferred overall mass transfer coefficients are found to increase with bubble frequency and resulting higher interfacial area in unit cell and intensified recirculation in slug. Film contribution to mass transfer is proved dominant in the case of short bubbles with reactive wall, and hardly varies with reaction rate. However, this contribution is strongly linked to bubble frequency, and a reliable evaluation of local mass transfer by correlations demands accurate knowledge on the precise dimensions of bubble, slug and film entities.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://www.sciencedirect.com The original PDF of the article can be found at Catalysis Today website : http://www.sciencedirect.com/science/journal/09205861 "5th International Conference on Structured Catalysts and Reactors, ICOSCAR-5, Donostia-San Sebastián, Spain, 22-24 June, 2016"
HAL Id:hal-01395331
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > Université Laval (CANADA)
Laboratory name:
Agence Nationale de la Recherche - TOTAL S.A. company
Deposited On:10 Nov 2016 15:17

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