TREATMENT OF HOMOGENEOUS KINETICS IN ELECTROCHEMICAL DIGITAL-SIMULATION PROGRAMS

Methods are discussed for the solution of chemical kinetic problems in the context of digital simulation of voltammetric experiments. Analytical solutions to the rate equations and numerical solutions obtained by using the modified Euler method are discussed and are shown to be generally more accurate and, because larger time increments can be used, more efficient than the simple differential approximation. A detailed analysis of the errors in digital simulation shows that the spatial increment delta x can be comparable to the thickness of the diffusion or reaction layer provided that the model diffusion coefficient D* is set equal to 0. 5.