Synthesis of reaction mechanisms consisting of reversible and irreversible steps. 2. Formalization and analysis of the synthesis algorithm

A chemical system consists of intermediate species, terminal species, and mechanism steps. A mechanism which is a combination of steps accomplishes an overall reaction if its net stoichiometry does not involve intermediates. Issues arising in the definition and identification of direct mechanisms, which are the shortest possible mechanisms, are discussed, and an algorithm for the construction of direct mechanism is presented; the algorithm operates by successively eliminating intermediates. Throughout the operation of the algorithm, irreversible steps are used only in their permitted direction