TY - JOUR
T1 - Pathological detonation in H2-Cl2 mixtures
T2 - Uncertainty quantification and thermal non-equilibrium effects
AU - Chen, Zituo
AU - Weng, Zifeng
AU - Huang, Xiangrong
AU - Vargas, João
AU - Mével, Rémy
N1 - Publisher Copyright:
© 2024 The Combustion Institute
PY - 2024/6/1
Y1 - 2024/6/1
N2 - Pathological detonations are detonations with a propagation velocity higher than the classical Chapman–Jouguet velocity and which depends on the wave structure. Such a behavior has been experimentally observed in low-pressure hydrogen-chlorine mixtures and important discrepancies were reported between the experimental and the theoretical velocities. Using the steady planar detonation model, along with a state-of-the-art chemical mechanism this work aims at investigating two aspects potentially responsible for these discrepancies: (i) the impacts of uncertainties in chemical kinetics mechanisms, and (ii) thermal non-equilibrium effects. The uncertainties in the rate constants of reactions R2: 2Cl+M=Cl2+M and R3: Cl2+H=HCl+Cl are found to be the dominant sources of uncertainty for the steady propagation velocity and the induction length of the pathological detonations. The multi-temperature, thermal non-equilibrium model is found to provide generally higher detonation velocity than the experimental value and the eigenvalue solutions obtained under thermal equilibrium. Nevertheless, for specific values of the initial vibrational temperature of HCl, the results can be closer to the experimental values. This latter aspect provides the motivation for future work that relies on more comprehensive thermal non-equilibrium modeling.
AB - Pathological detonations are detonations with a propagation velocity higher than the classical Chapman–Jouguet velocity and which depends on the wave structure. Such a behavior has been experimentally observed in low-pressure hydrogen-chlorine mixtures and important discrepancies were reported between the experimental and the theoretical velocities. Using the steady planar detonation model, along with a state-of-the-art chemical mechanism this work aims at investigating two aspects potentially responsible for these discrepancies: (i) the impacts of uncertainties in chemical kinetics mechanisms, and (ii) thermal non-equilibrium effects. The uncertainties in the rate constants of reactions R2: 2Cl+M=Cl2+M and R3: Cl2+H=HCl+Cl are found to be the dominant sources of uncertainty for the steady propagation velocity and the induction length of the pathological detonations. The multi-temperature, thermal non-equilibrium model is found to provide generally higher detonation velocity than the experimental value and the eigenvalue solutions obtained under thermal equilibrium. Nevertheless, for specific values of the initial vibrational temperature of HCl, the results can be closer to the experimental values. This latter aspect provides the motivation for future work that relies on more comprehensive thermal non-equilibrium modeling.
KW - Hydrogen-chlorine
KW - Pathological detonation
KW - Thermal non-equilibrium
KW - Uncertainty quantification
U2 - 10.1016/j.combustflame.2024.113429
DO - 10.1016/j.combustflame.2024.113429
M3 - Article
SN - 0010-2180
VL - 264
JO - Combustion and Flame
JF - Combustion and Flame
M1 - 113429
ER -