IPLOT-VKA: an Integral-method Powell-pLOT-enhanced Visual Kinetic Analysis for the Determination of Orders of Reaction

Chemistry. 2024 Oct 10:e202401914. doi: 10.1002/chem.202401914. Online ahead of print.

Abstract

Determination of partial orders of reactions in kinetics is a general entry step for any mechanistic investigation; recently, considerable attention has been given to the benefits of using visual methods to help in this task, such as easy utilization and data-efficiency. In this respect, we here revisit and improve the classic method by Powell and Margerison for kinetic analysis. For the first time, analytical equations for a bimolecular reaction have been worked out for all values of partial orders of reactions, and the solutions have been implemented in a free, open-access and easy-to-use Web-application, named IPLOT-VKA, which also allows estimation of the errors on the kinetic constant, and residual standard error on concentrations. Several examples, taken from reference teaching experiences and from recent literature in catalysis show the efficacy and accuracy of our approach, which also has the advantage of requiring less experimental runs than other visual methods currently available.

Keywords: elasticity coefficient; kinetic constant; master curve; order of reaction; visual kinetic analysis.