Kinetic Treatments for Catalyst Activation and Deactivation Processes based on Variable Time Normalization Analysis

Abstract

Prof. A. Vidal-Ferran ICREA Passeig LluïsC ompanys,2 3, 08010 Barcelona (Spain) Supportinginformation and the ORCID identification number(s) for the author(s) of this article can be found under: https://doi.org/10.

Best Practices for the Collection of Robust Time Course Reaction Profiles for Kinetic Studies

“…Further characterization or experimentation may be necessary to assign all signals in the spectrum and to identify all intermediates or side products. Second, this experiment may reveal the existence of an induction period, during which the reaction is not under steady state . Thus, the orders of reaction measured during an induction period should be used carefully.…”

“…One powerful example comes from the Bureś group, who developed a procedure for determining reaction orders from data with nonconstant catalyst concentrations without discrete catalyst concentration versus time information. 18 2.2. Order of Addition.…”

“…Second, this experiment may reveal the existence of an induction period, during which the reaction is not under steady state. 18 Thus, the orders of reaction measured during an induction period should be used carefully. The robustness and reliability of the sampling method can also be gauged from this initial time course profile.…”

“…Meaningful kinetic analysis can still be achieved using data in which catalyst concentration cannot be directly monitored, although interpretation of the result may be more complicated. One powerful example comes from the Burés group, who developed a procedure for determining reaction orders from data with nonconstant catalyst concentrations without discrete catalyst concentration versus time information …”

“…Obtaining reaction profiles of different excess, same excess, and product inhibition experiments is an essential step in this process. , Rate constants, order in reaction components, catalyst deactivation, and product inhibition can be probed using RPKA or VTNA. These methodologies are amenable for analysis of complex catalytic reactions at or near the desired operating conditions, allowing delineation of subtle mechanistic details that may be missed by initial rate methodologies. − RPKA and VTNA provide insights on the kinetic behavior over the entirety of the reaction, compared to initial rate studies, which may not represent the reaction as a whole and therefore limit the level of reaction understanding. , Several review articles explaining how RPKA and VTNA can be applied have been published. We point readers to these articles for a basic understanding of and best practices for applying these data interpretation techniques.…”