The reduced mechanism of ammonia/hydrogen mixture for detonation

With the continued advancement of research on ammonia/hydrogen detonation, achieving accurate and cost-effective simulations has become increasingly essential. To address this need, different reduced mechanisms for NH₃/H₂ are developed through systematic reduction and optimization, ensuring a balance between computational efficiency and accuracy for various detonation studies. In the reduction procedure, a detailed reaction mechanism is systematically reduced using the DRGEPSA method and the ZND model, yielding three reduced mechanisms: RM1, RM2, and RM3. These mechanisms are rigorously evaluated across a wide range of parameters and operating conditions to assess their predictive capabilities. Furthermore, RM3-II, as an improved version of RM3 with significantly enhanced accuracy, is derived through multi-objective optimization. Additionally, the broad applicability of RM1, RM2, and RM3-II is validated under varying hydrogen blending ratios, where they still maintain reasonable accuracy. A comprehensive evaluation of these reduced mechanisms suggests that RM1 is best suited for small-scale simulations and studies focusing on DDT, RM2 is applicable exclusively to simulations with direct initiation, and RM3 is more appropriate for large-scale simulations and detonation-focused studies.