Computational Electrochemistry. Simulations of Homogeneous Chemical Reactions in the Confluence Reactor and Channel Flow Cell

• Published in: The journal of physical chemistry. B 2000-02, Vol.104 (6), p.1241-1248
• Main Authors: Stevens, Nicholas P. C, Gooch, Kerry A, Fisher, Adrian C
• Format: Article
• Language: English
• ISSN: 1520-6106; 1520-5207
• DOI: 10.1021/jp992091w

The finite element method (FEM) is employed to simulate steady-state convection diffusion problems involving electrode processes and coupled homogeneous kinetic reactions in the channel cell and the confluence reactor. Initial FEM simulations are reported for EC, ECE, and DISP reactions in the channel cell, and the results are shown to agree with previous art. Calculations reveal the FEM extends the kinetic range accessible for such mechanisms beyond those reported previously using the backward implicit finite difference method. The FEM is then applied to simulate, for the first time, the quantitative effects of coupled homogeneous reactivity on the voltammetric response of the confluence reactor. Specifically, a working surface is presented for the application of the confluence reactor to the investigation of the CE type reactions. This surface provides a quantitative relationship between the chemical reaction rate, volume flow rate, and inlet concentrations using this new device. In all simulations performed, the FEM is found to be a highly efficient and accurate alternative to the finite difference method when applied to hydrodynamic voltammetric measurements.