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Dynamic modeling of three-phase upflow fixed-bed reactor including pore diffusion

Julcour-Lebigue, Carine and Chaudhari, Raghunath Vitthal and Le Lann, Jean-Marc and Wilhelm, Anne-Marie and Delmas, Henri Dynamic modeling of three-phase upflow fixed-bed reactor including pore diffusion. (2002) Chemical Engineering and Processing, 41 (4). 311-320. ISSN 0255-2701

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Official URL: http://dx.doi.org/10.1016/S0255-2701(01)00147-7


The dynamics of a three-phase upflow fixed-bed reactor are investigated using a non-isothermal heterogeneous model including gas–liquid and liquid–solid mass transfer and diffusion/reaction phenomena inside the catalyst. The partial differential and algebraic equations involving three integration variables (time and two space coordinates) are solved via discretization of the spatial coordinates coupled with the Gear method. For a multistep hydrogenation on a shell catalyst, the model exhibits significant effects of the external and above all internal resistance to hydrogen transfer but also non-trivial internal hydrocarbons concentration profiles. A simplified model is compared with the extended one and with experimental data in transient regime. In the investigated conditions—hydrocarbons in large excess—the diffusion of hydrocarbons appears to be actually not limiting, so that the simplest model predicts accurately the transient reactor behavior.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://dx.doi.org/10.1016/S0255-2701(01)00147-7
HAL Id:hal-00735924
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)
Other partners > National Chemical Laboratory - NCL (INDIA)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Laboratory name:
Deposited On:27 Sep 2012 09:17

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