GENERAL-METHOD FOR SIMPLIFYING CHEMICAL NETWORKS WHILE PRESERVING OVERALL STOICHIOMETRY IN REDUCED MECHANISMS

A method is given for reducing the number of intermediates in reaction networks without altering the stoichiometric constraints. When a set of intermediates is to be eliminated, the reactions involving the intermediates must be replaced with the overall reactions of the extreme currents of the subnetwork whose only intermediates are the species to be eliminated. This method is automated easily for use in stability analysis and dynamical simulations.