TY - JOUR
T1 - Jet-stirred reactor measurements and chemical kinetic study of ammonia with dimethyl ether
AU - Yin, Geyuan
AU - Xiao, Bo
AU - Zhao, Hao
AU - Zhan, Haochen
AU - Hu, Erjiang
AU - Huang, Zuohua
N1 - Publisher Copyright:
© 2023 Elsevier Ltd
PY - 2023/6/1
Y1 - 2023/6/1
N2 - To investigate the chemical kinetic effect of dimethyl ether (DME) on ammonia combustion and NO formation, experiment of ammonia mixed with DME was conducted in a jet-stirred reactor. Mole fractions of reactants and intermediates were measured at the equivalence ratio of 0.5–2.0, at the temperature range of 800–1250 K and the DME ratio of 0.0–0.8. Meng model was selected as the base model of ammonia and DME. Zhang model was chosen to update the NH3 sub-mechanism through validated against large set of experimental data. Pathway and sensitivity analysis were conducted to figure out the key reactions on ammonia combustion and NO formation. The result showed that NH2 can react with carbon-containing species, such as DME and CH3, producing NH3 and methylamine, respectively. NH2 reacting with DME, HO2 generating NH3 + CH3OCH2 and NH3 + O2, plays dominant chain-termination role in ammonia oxidation. In addition, HO2 can react with NH2, CH3 and NO generating OH radicals, promoting ammonia oxidation. Sensitivity analysis indicated that reactions like CH3 + NO2 = CH3O + NO, HNO + O2 = NO + HO2, essential to NO formation have promoting effect on ammonia consumption. In contrast, NH2 + CH3 = CH3NH2 have high sensitivity coefficients, regarded as chain terminal reactions inhibiting the reactivity.
AB - To investigate the chemical kinetic effect of dimethyl ether (DME) on ammonia combustion and NO formation, experiment of ammonia mixed with DME was conducted in a jet-stirred reactor. Mole fractions of reactants and intermediates were measured at the equivalence ratio of 0.5–2.0, at the temperature range of 800–1250 K and the DME ratio of 0.0–0.8. Meng model was selected as the base model of ammonia and DME. Zhang model was chosen to update the NH3 sub-mechanism through validated against large set of experimental data. Pathway and sensitivity analysis were conducted to figure out the key reactions on ammonia combustion and NO formation. The result showed that NH2 can react with carbon-containing species, such as DME and CH3, producing NH3 and methylamine, respectively. NH2 reacting with DME, HO2 generating NH3 + CH3OCH2 and NH3 + O2, plays dominant chain-termination role in ammonia oxidation. In addition, HO2 can react with NH2, CH3 and NO generating OH radicals, promoting ammonia oxidation. Sensitivity analysis indicated that reactions like CH3 + NO2 = CH3O + NO, HNO + O2 = NO + HO2, essential to NO formation have promoting effect on ammonia consumption. In contrast, NH2 + CH3 = CH3NH2 have high sensitivity coefficients, regarded as chain terminal reactions inhibiting the reactivity.
KW - Ammonia
KW - Chemical kinetic model
KW - Dimethyl ether
KW - Jet-stirred reactor
KW - Species concentration
UR - https://www.scopus.com/pages/publications/85147218893
U2 - 10.1016/j.fuel.2023.127542
DO - 10.1016/j.fuel.2023.127542
M3 - 文章
AN - SCOPUS:85147218893
SN - 0016-2361
VL - 341
JO - Fuel
JF - Fuel
M1 - 127542
ER -