TY - JOUR
T1 - Algorithmic determination of the mechanism through which H2O-dilution affects autoignition dynamics and NO formation in CH4/air mixtures
AU - Tingas, Efstathios Al
AU - Kyritsis, Dimitrios C.
AU - Goussis, Dimitris A.
N1 - Produced while E Tingas was at King Abdullah University of Science and Technology
PY - 2016/11/1
Y1 - 2016/11/1
N2 - The Computational Singular Perturbation (CSP) algorithm is employed in order to determine how H2O-dilution influences ignition delay and chemical paths that generate NO during isochoric homogenous lean CH4/air autoignition. Regarding the ignition delay, it is shown that H2O-dilution enhances reactivity, mainly due to the increased OH production throughout the explosive stage via reaction H2O2(+H2O)→OH+OH(+H2O). With regard to NO generation, the relative importance of thermal and chemical effects are examined and it is concluded that both are important. The thermal effects result in a lower temperature at the end of the explosive stage, while the most notable chemical effect is the lower level of O after this stage, mainly due to the effect of H2O-dilution on the equilibrium of the reaction O+H2O↔OH+OH. The depletion of O, together with the thermal effect, causes a substantial decrease in final NO generation.
AB - The Computational Singular Perturbation (CSP) algorithm is employed in order to determine how H2O-dilution influences ignition delay and chemical paths that generate NO during isochoric homogenous lean CH4/air autoignition. Regarding the ignition delay, it is shown that H2O-dilution enhances reactivity, mainly due to the increased OH production throughout the explosive stage via reaction H2O2(+H2O)→OH+OH(+H2O). With regard to NO generation, the relative importance of thermal and chemical effects are examined and it is concluded that both are important. The thermal effects result in a lower temperature at the end of the explosive stage, while the most notable chemical effect is the lower level of O after this stage, mainly due to the effect of H2O-dilution on the equilibrium of the reaction O+H2O↔OH+OH. The depletion of O, together with the thermal effect, causes a substantial decrease in final NO generation.
KW - Autoignition
KW - CSP
KW - Methane
KW - NO
KW - Water dilution
UR - https://www.scopus.com/pages/publications/84975318464
UR - https://www.scopus.com/pages/publications/84975318464#tab=citedBy
U2 - 10.1016/j.fuel.2016.06.057
DO - 10.1016/j.fuel.2016.06.057
M3 - Article
AN - SCOPUS:84975318464
SN - 0016-2361
VL - 183
SP - 90
EP - 98
JO - Fuel
JF - Fuel
ER -