The directed relation graph method for mechanism reduction in the oxidative coupling of methane

A detailed mechanism comprising the GRI-Mech natural gas combustion mechanism and recent updates to it that included soot formation and reactions involving acetylene by Frenklach and coworkers was chosen to describe the gas phase reactions in the oxidative coupling of methane (OCM). The complete mechanism was reduced for use under OCM conditions with the directed relation graph method. The mechanism reduction achieved reduction ratios of 0.55 for the number of species and 0.57 for the number of reactions when the differences in the concentrations of CH4, O2, C2H6, C2H4, and C2H2 between the original and reduced mechanisms were required to be less than 5%.