We use cookies to distinguish you from other users and to provide you with a better experience on our websites. Close this message to accept cookies or find out how to manage your cookie settings. Learn more about our Privacy Notice... [opens in a new tab]

Continuous Addition Kinetic Elucidation: Catalyst and Reactant Order, Rate Constant, and Poisoning from a Single Experiment

13 June 2022, Version 2

Abstract

Kinetic analysis of catalytic reactions is a powerful tool for mechanistic elucidation but is often challenging to perform. Establishing order in a catalyst is achieved by running several reactions at different loadings, which is complicated by the challenge of maintaining consistent run-to-run experimental conditions. We present Continuous Addition Kinetic Elucidation (CAKE), which involves steadily injecting catalyst into the reaction, and following reaction progress over time to generate a plot whose shape is dependent only on the order in reactant and in catalyst. Modelling the curve (using a convenient web tool) allows the catalyst and reactant order to be determined, as well as the rate constant and the amount of any catalyst poison present.

Content

Supplementary materials

Supporting information
Materials and Methods Table SI1 – SI3 Figures SI1 – SI4 References (31 – 42)
Data for Figure 2
Data for Figure 2
Data for Figure 3
Data for Figure 3
Data for Figure 4
Data for Figure 4
Data for Fig 5
Data for Figure 5
Data for Figure 6
Data for Figure 6
Mathematical Results and Derivations
Mathematical Results and Derivations; 79 equations

Supplementary weblinks

CAKE webtool
Python-powered webtool for fitting data from a CAKE experiment
CAKE Python code
Downloadable Python code for off-line fitting and the most up-to-date tools