Electroanalytical simulations. Part 14. - Simulation of Frumkin-type adsorption processes by orthogonal collocation under cyclic voltammetric conditions - Schulz, C.; Speiser, B. (Elsevier)
The coadsorption of educt and product species of a reversible electrode reaction following the Frumkin isotherm under cyclic potential scan conditions is modeled. The governing partial differential equations are converted into a system of ordinary differential equations by orthogonal collocation. The non-linear boundary conditions imposed by the Frumkin isotherm are solved numerically. Two alternative algorithms for the determination of the surface coverage are derived. The boundary value problem is then solved by integration. The model is implemented into the framework of our simulation program system EASI. Both algorithms are successfully tested by comparison to calculation results of limiting cases, in particular Langmuir-type adsorption and strong adsorption defined by Frumkin isotherms. Simulated voltammograms are discussed for intermediate values of the adsorption parameters.
http://linkinghub.elsevier.com/retrieve/pii/0022-0728(93)80338-I
Keywords: V