Elementary Kinetic Modelling in Catalytic Reaction Engineering,

Edition 1

Editors: By Joris W. Thybaut, Jeroen Lauwaert, Jeroen Poissonnier, Pieter Janssens, Alexandra Bouriakova and Sébastien Siradze

Publication Date: 01 Sep 2026

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Elementary Kinetic Modelling in Catalytic Reaction Engineering is a practical focused text that brings together the relevant basics for reaction engineering and shows their applications to a wide variety of examples, whilst looking at the intrinsic kinetics data acquisition, reaction mechanism elucidation, elementary step-based modelling and model-based design and optimization involved.

The book aims at spanning the entire process from acquisition of the relevant data in dedicated experimental set-ups, over the proper treatment of the data and the corresponding interpretation up to the quantification of the gained understanding in a model. The latter aspect allows the reader to challenge the interpretation made of the data and design subsequent experiments or improve the interpretation/model formulation. The coverage is not just limited to the generic (theoretical) principles but will also carefully consider and explain their application to a variety of real-life applications including gas- and liquid-phase reactions, heterogeneously catalyzed reactions involving adsorption either in the Henry regime or at full saturation of the catalyst or combined homogeneous-heterogeneous reactions.

Elementary Kinetic Modelling in Catalytic Reaction Engineering is written primarily for graduate students and postdoc researchers in chemical engineering or applied industrial chemistry studying chemical reaction engineering and catalysis, as well as physical chemists studying kinetics.

Key Features

Conveys how relevant information for the optimization of chemical reactions can be acquired through modelling and simulation of the kinetics involved
Provides a complete path from the acquisition of experimental data, to its interpretation and the development of a predictive kinetic model
Readers are provided with concrete guidelines on how to approach experimental efforts, how to systematically interpret data and correspondingly formulate a kinetic model
Case studies cover a range of interesting practical possibilities for chemical reaction engineering

About the author

By Joris W. Thybaut, Professor in Catalytic Reaction Engineering, Laboratory for Chemical Technology, Ghent University, Belgium; Jeroen Lauwaert, Faculty of Engineering and Architecture, Department of Materials, Textiles and Chemical Engineering, Ghent University of Ghent, Belgium; Jeroen Poissonnier, Postdoctoral Researcher, Laboratory for Chemical Technology, Ghent University of Ghent, Belgium; Pieter Janssens, Postdoctoral Researcher, Laboratory for Chemical Technology, Ghent University of Ghent, Belgium; Alexandra Bouriakova, Postdoctoral Researcher, Laboratory for Chemical Technology, Faculty of Engineering and Architecture, Department of Materials, Textiles and Chemical Engineering, Ghent University, Belgium and Sébastien Siradze, Postdoctoral Researcher, Laboratory for Chemical Technology, Faculty of Engineering and Architecture, Department of Materials, Textiles and Chemical Engineering, Ghent University, Belgium

Part I: Modelling and Simulation Methodologies
1. Chemical reactions and reactors
Reactions and elementary steps
Conversion, selectivity, and yield
Ideal reactor types

2. Acquisition of data containing the relevant information for model construction
Intrinsic kinetics (transport phenomena and ideal reactor hydrodynamics)
Experimental design
Space time as means to assess conversion effects and, hence, eliminate them from other effects
Batch vs continuous
On-line sampling vs off-line sampling (taking relevant samples)

3. Data treatment and analysis
Normalization method
Data interpretation/trend identification

4. Rate equation derivation
Pseudo-steady state
Quasi-equilibrium
Rate-determining step
Adsorption/component enrichment (most suitable place?)
Examples: Langmuir-Hinshelwood/Hougen-Watson; Eley-Rideal, Mars-van Krevelen, Michaelis-Menten
Activities/thermodynamic non-idealities

5. Complex reaction networks
Reaction families
Network generation
Microkinetics

6. Rate and equilibrium coefficient determination
A priori assessment/chemical thermodynamics
Regression

7. Model exploitation
Catalyst design
Reactor design (relevant terms from chapter 1 coming back)
Process design

Part II: Applied Case Studies
8. Gas phase heterogeneously catalysed reaction: butanediol dehydration
9. Liquid phase reaction: (trans)esterification reactions
10. Three-phase reaction: hydrogenation/hydrotreatment
11. Adsorption effects: from Langmuir adsorption in the Henry regime over saturation effects in solid materials to swelling phenomena in resins
12. Combined homogeneous/heterogeneous reactions: oxidative coupling of methane
13. Relevant reactor scales
14. Relevant phenomena: internal transport limitations, interphase transport limitations

Appendix 1: numerical methods
Ordinary differential equations
Algebraic equations
Optimization (regression)

ISBN: 9780443240324

Page Count: 512

Retail Price (USD) :

Graduate students and postdoc researchers in chemical engineering or applied industrial chemistry studying chemical reaction engineering and catalysis, as well as physical chemists studying kinetics; anyone with particular interest in mastering chemical reactions, i.e., manipulating rates of main reactions to maximize chemical production yields in a minimal volume and of side reactions to minimize useful product losses; scientists in R&D departments of chemical companies (bulk and specialty) but will also be of benefit to those in the adjacent pharmaceutical, food, and environmental industries