A comparison of the Bader–Deuflhard and the Cash–Karp Runge–Kutta integrators for the GRI-MECH 3.0 model based on the chemical kinetics code Kintecus

The chemical kinetics and associated thermodynamics of the GRI-MECH 3.0 model is described and modeled with the Bader–Deuflhard and the Cash–Karp Runge–Kutta Integrators as implemented by W.T. Vetterling et al. in Kintecus V3.0. Comparisons are made to verify the mathematical correctness of the chemical kinetic model against those already published models and the experimental data in the literature. For the simple H2–O2 combustion model, the Cash–Karp Runge–Kutta integrator outperforms the Bader–Deuflhard method in speed and accuracy, but for combustions involving the GRI-MECH model the situation is reversed. The Bader–Deuflhard integrator is selected for the GRI-MECH runs and the selected published GRI-MECH runs in the literature. The comparisons of the Bader–Deuflhard integrator’s results and the published results from the GRI-MECH model and experimental results are in excellent agreement.