(Micro)Kinetics Driven Catalyst and Process Design
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Computational Catalysis".
Deadline for manuscript submissions: closed (30 May 2022) | Viewed by 318
Special Issue Editors
Interests: catalysis; reaction engineering; microkinetics; chemical reactors
Special Issues, Collections and Topics in MDPI journals
Interests: catalysts; lignin hydrogenolysis; recovery of lignin from black liquor; reusability of aminated silica catalysts; reaction engineering; microkinetics; thermodynamics
Special Issue Information
Dear Colleagues,
Most industrial chemical processes make use of catalysis, ranging from simple transformations to complex chemistry. In either case, novel catalyst or process design or the optimization of existing ones typically benefits from a fundamental understanding of the mechanisms occurring at a molecular level. An important tool that researchers have in their possession to elucidate these mechanisms is mapping the intrinsic reaction kinetics, and in particular (micro)kinetic model development. Apart from the intrinsic reaction kinetics at the molecular level, transport phenomena at the pellet scale as well as hydrodynamics at the reactor scale may also have to be explicitly accounted for when extrapolating the laboratory kinetics to the industrial scale, resulting in a true multiscale simulation model.
It is within this area, i.e., (micro)kinetics driven catalyst and process design, that contributions to this Special Issue are envisaged. Both experimental studies focusing on the elucidation of intrinsic kinetics aiming at rational catalyst design as well as studies that use (micro)kinetic modeling for this purpose will be considered. Moreover, studies involving multiscale modelling aiming at the design of catalytic processes are warmly welcomed.
Prof. Dr. Joris W. Thybaut
Dr. Jeroen Lauwaert
Guest Editors
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