Time scale decomposition in complex reaction systems: A graph theoretic analysis

摘要: Abstract The formulation of a kinetic model for complex reaction network typically yields rates which vary over orders magnitude. This results in time scale separation that makes the inherently stiff. In this work, graph-theoretic framework is developed decomposition networks to separate slow and fast scales, identify pseudo-species evolve only scale. represented using directed bi-partite graph cycles correspond closed walks are used interactions between species participating fast/equilibrated reactions. Subsequently, an algorithm connects form utilized eliminate rate terms. These formulate reduced, non-stiff models system. Two systems considered show efficacy context thermochemical biochemical processing.