Symbolic solution of large stationary chemical kinetics problems

Abstract

This paper presents a new application of computer algebra to the treatment of steady states of reaction systems. The method is based on the Buchberger algorithm. This algorithm was modified so that it can exploit the special structure of the equations derived from reaction systems, lareven large systems can be handled. In contrast to numerical approximation techniques, the algebraic solution gives a complete and definite overview of the solution space and it is even applicable when parameter values are unknown or undetermined. The algorithm, its adaptation to the problem class, and its application to selected examples are presented.