Micro-kinetics analysis based on partial reaction networks to compare catalysts performances for methane dry reforming reaction

Designing a simple, yet representative reaction network for subsequent micro-kinetic analysis is important limiting the cost of evaluation and ensuring model solvability. This currently achieved by employing sensitivity over comprehensive (CRN) to screen species. However, as being simplified particular catalyst composition, it loses its transferability other compositions. Therefore, in this study, two-way approach presented circumvent problem. Firstly, generalizable outcome identified, i.e. minimum reactant conversions (xR), based on mass-flow analysis. Then, stepwise workflow developed constructing partial (PRN) insure min (xR) range varying energetics, absence experimental data validation. Lastly, demonstrated CH4 dry reforming developing PRN using Ni(1 1 1) initial testing Ru(0 0 1).