A METHOD-ORIENTED APPROACH TO THE FORMULATION OF ALGORITHMS FOR ELECTROCHEMICAL KINETIC SIMULATIONS .2. EXTENSION TO KINETIC PROBLEMS CHARACTERIZED BY THE SIMULTANEOUS PRESENCE OF BULK AND INTERFACIAL SPECIES

The previously suggested method-oriented approach to the construction of algorithms of the numerical solution of initial boundary value prob lems occurring in electrochemical kinetics is extended to the class of kinetic problems characterized by the simultaneous presence of bulk s pecies (distributed in the electrolyte) and interfacial species (local ized at the electrodes). Such problems are described by coupled sets o f partial differential and differential-algebraic equations, which in particular cases may also take the form of the sets of partial differe ntial and algebraic equations, or partial differential and ordinary di fferential equations. Seven algorithms based on finite-difference disc retizations are formulated, and their accuracy, efficiency and numeric al stability are examined in calculations using typical examples of ki netic problems. An improvement of the coding of text input formulae an d run-time interpretation of the codes, based on the idea of the three -address code in quadruple form, is also described.