A comparison of numerical frameworks for modelling homogenous reactors and Laminar flames

Five different numerical frameworks with possibilities of modelling homogenous batch reactors and laminar premixed flames are compared in terms of results consistency and performance. The considered projects are Cantera, Chemkin-II, Ansys/Chemkin-PRO, FlameMaster, and OpenSMOKE++. In this study, first, results for homogenous, isochoric, adiabatic batch reactors are compared based on test cases precisely defined in terms of numerical setup and initial conditions. All frameworks provide consistent results. Based on this agreement, the comparison is extended for premixed laminar flames. Very good agreement between Cantera, Ansys/Chemkin-Pro, FlameMaster, and OpenSMOKE++ is achieved given that the same modelling assumptions and a sufficiently accurate numerical setup are chosen by the user. Finally, Cantera, FlameMaster, and OpenSMOKE++ are compared in a process time benchmark for homogenous, isochoric batch reactors.