Computational electrochemistry. Simulations of homogeneous chemical reactions in the confluence reactor and channel flow cell

The finite element method (FEM) is employed to simulate steady-state convec tion diffusion problems involving electrode processes and coupled homogeneo us kinetic reactions in the channel cell and the confluence reactor. Initia l FEM simulations are reported for EC, ECE, and DISP reactions in the chann el cell, and the results are shown to agree with previous art. Calculations reveal the FEM extends the kinetic range accessible for such mechanisms be yond those reported previously using the backward implicit finite differenc e method. The FEM is then applied to simulate, fur the first time, the quan titative effects of coupled homogeneous reactivity on the voltammetric resp onse of the confluence reactor. Specifically, a working surface is presente d for the application of the confluence reactor to the investigation of the CE type reactions. This surface provides a quantitative relationship betwe en the chemical reaction rate, volume flow rate, anti 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 metho d when applied to hydrodynamic voltammetric measurements.