ELSIM - Problem-solving environment for electrochemical kinetic simulations. Version 3.0 solution of governing equations associated with interfacial species, independent of spatial coordinates or in one-dimensional space geometry

A third version of the program ELSIM (for IBM compatible PCs) for the simulation of electrochemical transient methods has been elaborated upon. The program has been equipped with numerical algorithms that allow solution of kinetic problems characterized by the presence of interfacial species. Problems of this kind play an important role in electrochemical kinetic studies, among others in connection with electrocatalysis, modified electrodes or oscillatory systems. The user-written governing equations may take the form of differential-algebraic equations (for the concentrations of interfacial species) independent of spatial coordinates, or partial differential equations (for the concentrations of bulk species) in one-dimensional space geometry, coupled with differential-algebraic equations. Problem formulation has also been facilitated by the inclusion of a reaction compiler, which automatically generates the text of the above governing equations for user-written reaction mechanisms. Other new features include an option for the least-squares fitting of simulated transients to experimental curves, a hypertext help facility, and enhanced performance owing to the revised formula translation based on the three-address internal code generation, and on automatic differentiation. Copyright (C) 1996 Elsevier Science Ltd