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Operando FT-IR Studies of heterogeneous catalytic reactions: pitfalls and benefits.

Presentation by:

  1. Fred Meunier (Institut de Recherche sur la Catalyse et l’Environnement de Lyon, Villeurbanne, France),

The characteristics of various FT-IR cells used for the operando characterization of heterogeneous catalytic reactions are discussed in relation to the measurements of accurate reaction rates. Temperature deviations of over 20°C easily occur. Sample bed by-pass by the reaction flow and temperature heterogeneity may greatly disguise the sample activity. The cell itself can be catalytically active. Possible cell improvements are discussed. Examples of application of operando FT-IR to the investigation of various systems are presented: NOx-storage-reduction, hydrogenation of toluene, hydrogenation of CO, the preferential oxidation of CO, and the water-gas shift reaction. Many relevant information for kinetic modelling can be obtained (using differential conditions): transport, nature(s) and coverage of sites, heat and mode of adsorption, poisoning, adsorbate reactivity.

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Chemical reaction kinetics in practice

R.J. Berger, E.H. Stitt, G.B. Marin, F. Kapteijn and J.A. Moulijn, Eurokin: chemical reaction kinetics in practice, CatTech, 5(1), 2001, 30-60.

This paper explains and illustrates the importance of intrinsic reaction kinetics from industrial perspective. Are simple or complex models needed ? Which reactor is most suited for the acquisition of the kinetic data ? At which conditions should the experiments be carried out ? Which are the pitfalls ? This is illustrated by means of nine case studies (‘Intermezzos’). The paper ends with a number of general advices for doing kinetics research and some future perspectives.

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Bridging the gap between ideal reactor modeling band multidimensional reaction flow using Reaction Engineering Lab and COMSOL Multiphysics

Presentation by: Gerard Hegemans (Comsol), Henrik von Schenck (& Gerard Hegemans), Comsol

In this presentation the versatility and user-friendliness of the package COMSOL Multiphysics Version 3.3a is demonstrated. After a short introduction of COMSOL company and product line, it shows the advantages of the recently developed Reaction Engineering Lab, which is a very useful tool for chemical reaction engineering problems to implement the reacting species, the reactions and the properties of the components. After exportation to the Chemical Engineering Module in Comsol Multiphysics, this can be applied in 2D and 3D applications with various flow regimes (i.e. laminar, turbulent, flow through porous media) and heat and mass transport mechanisms. Two examples: NOx reduction in a catalytic converter and homogeneous catalysis in a bubble column.

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Contact

Dr.ir. R.J. Berger
Anaproc c/o Delft
Phone: +31-15-278 4316
Fax: +31-15-278 5006
R.J.Berger@tudelft.nl


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