AUTOMATIC DERIVATION OF THE GOVERNING EQUATIONS THAT DESCRIBE A TRANSIENT ELECTROCHEMICAL EXPERIMENT, GIVEN A REACTION-MECHANISM OF ARBITRARY COMPLEXITY .2. GOVERNING EQUATIONS IN ONE-DIMENSIONAL GEOMETRY

A systematic procedure for deriving the governing equations that descr ibe a transient electrochemical experiment, given a reaction mechanism of arbitrary complexity under conditions of controlled-potential or c ontrolled-current transients methods, is outlined. The procedure is ba sed on the analysis and transformations of the stoichiometric matrix a nd other data, and applies to the class of reaction networks involving electrochemical, heterogeneous non-electrochemical and homogeneous re actions between bulk species (subject to semi-infinite diffusion and/o r convection in one-dimensional spatial geometry) and interfacial spec ies (located at electrodes). Equilibrium, non-equilibrium reversible a nd irreversible reactions are allowed, as well as the presence of spec ies with invariant concentrations, The corresponding governing equatio ns are proven to take the form of coupled sets of partial differential equations with initial and boundary conditions (for the concentration s of bulk species), and differential-algebraic equations (for the conc entrations of interfacial species). The procedure is a part of the alg orithm of an automatic, computer-aided translation of electrochemical reaction mechanisms into corresponding texts of the governing equation s.