关键词: 热力学, 自洽场, 电化学

A new algorithm, which is called "rank method", for the judgment of the thermodynamic self-consistency of an electrochemical/chemical reactions system has been developed. The theory and computation procedures were described in detail, and a calculation example was given. This algorithm employs the rank of the reaction coefficient matrix to directly judge the number of independent reactions, and only when a dependent reaction is found it is necessary to solve the corresponding equations. Therefore, this "rank method" is conceptually and technically more simple and straightforward. In addition, since subroutines for matrix manipulation could be called directly, the corresponding programming is especially easy. This method would find applications in the areas of electrochemistry, chemistry and chemical engineering.

Key words: THERMODYNAMICS, SELF-CONSISTENT FIELD, ELECTROCHEMISTRY