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

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.

Keywords

• Transient kinetic modeling
• Experimental and computational methodology optimization
• Structure-activity relationships
• Mechanism elucidation