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

被引:9
作者
Janssens, Pieter [1 ]
Poissonnier, Jeroen [1 ]
Chakkingal, Anoop [1 ]
Bos, Ren [1 ]
Thybaut, Joris W. [1 ]
机构
[1] Univ Ghent, Lab Chem Technol, Technologiepk 125, B-9052 Ghent, Belgium
关键词
Transient kinetic modeling; Experimental and computational methodology; optimization; Structure -activity relationships; Mechanism elucidation; FISCHER-TROPSCH SYNTHESIS; EVENT MICROKINETIC MODEL; CHAIN GROWTH PROBABILITY; WATER-GAS SHIFT; REACTION-MECHANISM; CO HYDROGENATION; PRODUCT DISTRIBUTION; METHANE FORMATION; COBALT FISCHER; SSITKA;
D O I
10.1016/j.catcom.2023.106688
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
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页数:15
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