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Recent advances in the use of Steady-State Isotopic Transient Kinetic Analysis data in (micro)kinetic modeling for catalyst and process design

Pieter Janssens, Jeroen Poissonnier, Anoop Chakkingal, René Bos, Joris Thybaut

2023Catalysis Communications14 citationsDOIOpen Access PDF

Abstract

Developing new catalysts with improved performance is crucial for establishing a sustainable chemical industry and requires atomic-scale knowledge of the relevant catalyst-species interactions. A powerful experimental technique to gather such detailed knowledge is Steady-State Isotopic Transient Kinetic Analysis (SSITKA). By combining SSITKA with (micro)kinetic modeling, the observed catalyst performance can be rationalized to advance the development of structure-activity relationships, and to obtain fundamental insights in complex reaction pathways. In turn, tailored experimental and computational methodologies provide the tools to access this detailed information. This mini review summarizes the developments that have been made in these fields during the last decade.

Topics & Concepts

Transient (computer programming)Kinetic energyCatalysisSteady state (chemistry)Process (computing)Biochemical engineeringNanotechnologyChemistryAtomic unitsComputer scienceProcess engineeringChemical physicsMaterials sciencePhysicsPhysical chemistryEngineeringOrganic chemistryOperating systemQuantum mechanicsCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsCatalysts for Methane Reforming
Recent advances in the use of Steady-State Isotopic Transient Kinetic Analysis data in (micro)kinetic modeling for catalyst and process design | Litcius