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Physical chemistry, Analytical chemistry
This work is designed to introduce electrochemists in a tutorial manner to the basics of modeling of electrochemical systems based primarily on diffusion equations. There is an introduction to analytical and numerical methods with examples taken from typical electrochemical experiments. The Laplace transform is used to derive the Cottrell equation and chronopotentiometry. The response of an electrode to a Gaussian concentration profile is detailed. Laplace’s equation is solved for a simple cell to determine the potential distribution. Discrete methods are employed to calculate the current time behavior following a potential step using the explicit finite difference method. Cyclic voltammetry is simulated using the explicit, implicit and hopscotch methods along with the method of orthogonal collocation. In each case the steps used to solve the problem are comprehensively detailed.
W.Breen, J.Cassidy, Current Topics in Electrochemistry, vol 9, (2003), 47-91