Portal de Periódicos da CAPES

Kinetics of chemical processes: From molecular to industrial scale

2021; Elsevier BV; Volume: 404; Linguagem: Inglês

10.1016/j.jcat.2021.09.014

1090-2694

Guy Marin, Vladimir Galvita, Gregory S. Yablonsky,

Electrocatalysts for Energy Conversion

Combining spectroscopic and transient kinetic techniques provides access to the identification and quantification of active sites and corresponding turnover frequencies of catalyzed reactions [1]. Ab initio calculated rate coefficients combined with network generation codes allow so-called microkinetic models accounting for all relevant elementary steps of complex reaction networks. Computational Fluid Dynamics (CFD) account for the scale-dependent transport of mass, energy and momentum and, hence, renders the design of an industrial process based on the intrinsic chemical kinetics possible. These theoretical and experimental achievements cannot be a substitute for the insights provided by the analysis of a catalytic cycle in terms of a limited number of kinetically significant steps [2]. We analyse the kinetics of a single-path reaction represented as a closed sequence of two steps [3]. We discuss some examples of chemical looping processes providing, in contrast to catalytic technology, the possibility to perform the steps of a closed sequence at different conditions.