Portal de Periódicos da CAPES

Simulation of Cyclic Voltammograms of Electrode Reactions with Coupled Homogeneous Chemical Reactions Using the Method of Lines

2019; Institute of Physics; Volume: 94; Issue: 1 Linguagem: Inglês

10.1149/09401.0447ecst

2151-2051

Omar Alejandro González-Meza, Alberto Gutiérrez-Becerra, Norberto Casillas, Erika Roxana Larios Duràn, Maximiliano Bárcena Soto,

Analytical Chemistry and Sensors

The aim of this work is to motivate the use of the method of lines to simulate cyclic voltammograms and to circumvent the use of highly specialized, expensive, commercial software for modeling complex mechanisms of electrochemical reactions coupled to chemical reactions for educational purposes. The method of lines consists of discretizing the partial diffusion equations of the species participating and transform them into a set of ordinary differential equations, from which the concentration profiles of the species are calculated and current is evaluated from the first Fick's law. Here, we apply this strategy to simulate three well-known electrode reactions mechanisms, one of them is a redox reversible reaction, other one is a preceding reaction mechanism, CE and a third one an ECE mechanism. Results are similar to the ones reported in the original papers published by Nicholson and Shain and others. This strategy could be used as a suitable tool to teach students cyclic voltammetry in a more hands on, active manner, as well as, an alternative to research. Since new possible mechanisms can be proposed, solved and compared with experimental cyclic voltammograms.