Introduction
This Shiny app simulates cyclic voltammetry experiments using the computational method outlined in Gosser, D. K. Cyclic Voltammetry Simulation and Analysis of Reaction Mechanisms, VCH, New York, 1993 and in Brown, J. H., J. Chem. Educ., 2015, 92, 1490-1496. Additional details are included on the app’s Computational Details tab.
Available Mechanisms
- E: An oxidation or a reduction reaction that takes one of the following forms
- Ox + ne- ⇄ Red
- Red ⇄ Ox + ne-
- EC: An oxidation or a reduction reaction followed by a chemical reaction that takes one of the following forms
- Ox + ne- ⇄ Red followed by Red ⇄ Z
- Red ⇄ Ox + ne- followed by Ox ⇄ Z
- CE: An oxidation or a reduction reaction preceded by a chemical reaction that takes one of the following forms
- Z ⇄ Ox followed by Ox + ne- ⇄ Red
- Z ⇄ Red followed by Red ⇄ Ox + ne-
How to Use the Simulations
For each mechanism the parameters used to simulate the cyclic voltammetry experiment are divided into five groups
- Redox Reaction: initial direction, number of electrons, and transfer coefficient
- Redox Species: formal potential, bulk concentration, and diffusion coefficient
- Potentials: starting potential, switching potential, and scan rate
- Rate Constants: heterogeneous charge-transfer rate constant, homogeneous first-order rate constants for the forward and the reverse chemical reaction
- Miscellaneous: electrode’s surface area and temperature
which are gathered at the bottom of each mechanism’s page; additional details are included on the Parameters tab.
Suggested questions to explore are included on the Exercises tab.
Table of Contents
This learning module is programmed in R (Link) using the Shiny package (Link) to produce an interactive web-based application. The preferred method for using the application is to run it from within an R session using Shiny by entering
shiny::runGitHub(“shinyCV”, “dtharvey”)
into the R console. To download R and Shiny, see the links above.
To access the learning module without the need for a local installation of R, use the version hosted at shinyapps.io; however, access to the hosted version may be limited during periods of high demand.
Developed by:
Dr. David Harvey
DePauw University
harvey@depauw.edu
