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Full Description
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.
Contents
Part I: Modelling and Simulation Methodologies
1. Chemical reactions and reactors
2. Acquisition of data containing the relevant information for model construction
3. Data treatment and analysis
4. Rate equation derivation
5. Complex reaction networks
6. Rate and equilibrium coefficient determination
7. Model exploitation
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
