Kinetic Analysis of Catalytic Organic Reactions Using a Temperature Scanning Protocol

Abstract

Experimental and kinetic modelling studies are presented to describe the development of temperature scanning reaction progress protocol for batch reactions. Coupled with graphical manipulations, this approach enables the expansion of in‐situ kinetic studies from a focus on isothermal concentration profiles to include reaction temperature as a parameter for rapid kinetic and mechanistic analysis.

Characterization of Propionyl Phosphate Hydrolysis Kinetics by Data-Rich Experiments and In-Line Process Analytical Technology

“…This method was further introduced in the form of a temperature scanning reactor by Wojciechowski, 22 primarily for studying gas-phase flow reactions in the petrochemical industry. To date, assisted by various powerful in situ reaction monitoring tools, this method has been used in batch 23,24 and flow reaction studies. 25,26 In this study, we adopted the RTS experimental method to study the hydrolysis of PrP.…”

Model-based design of transient flow experiments for the identification of kinetic parameters

“…Batch reactors are reasonably well suited to this task as they allow repeated sampling at different time intervals throughout the batch, hence facilitating the generation of a large number of data points from a single experiment. Furthermore, clever design of batch experiments, such as temperature ramping 3 or the method of "same excess" and "different excess", 1,4 instead of the traditional method of "large excess", can lead to the quick identification of reaction orders and kinetic parameters. However, batch reactors often suffer from heat transfer limitations, preventing the isothermal study of intrinsic kinetics required for model development.…”

Temperature-Scanning Reaction Protocol Offers Insights into Activation Parameters in the Buchwald–Hartwig Pd-Catalyzed Amination of Aryl Halides

“…A number of recent reports − have highlighted how the reaction temperature may be treated as a continuously changing parameter over the course of a reaction, even though reactant concentrations are also changing. The ability to analyze the temperature dependence of a complex multistep catalytic reaction in the same experiment in which concentration dependencies are probed in these data-dense experiments has the potential to accelerate both the fundamental understanding and practical applications.…”