TY - JOUR
T1 - Experimental and kinetic modeling investigation on pyrolysis and combustion of n-butane and i-butane at various pressures
AU - Li, Wei
AU - Wang, Guoqing
AU - Li, Yuyang
AU - Li, Tianyu
AU - Zhang, Yan
AU - Cao, Chuangchuang
AU - Zou, Jiabiao
AU - Law, Chung K.
N1 - Funding Information:
The research at Shanghai Jiao Tong University was supported by the National Natural Science Foundation of China (91541201, 51622605, 51476155, U1432130) and Science and Technology Commission of Shanghai Municipality (No. 17XD1402000). The authors appreciate the technical assistance from Mr. Delin Zhu, Dr. Andrew P. Kelley, Dr. Jiuzhong Yang, Ms. Meirong Zeng and Ms. Xiaoyuan Zhang.
Funding Information:
The research at Shanghai Jiao Tong University was supported by the National Natural Science Foundation of China ( 91541201 , 51622605 , 51476155 , U1432130 ) and Science and Technology Commission of Shanghai Municipality (No. 17XD1402000 ). The authors appreciate the technical assistance from Mr. Delin Zhu, Dr. Andrew P. Kelley, Dr. Jiuzhong Yang, Ms. Meirong Zeng and Ms. Xiaoyuan Zhang.
Publisher Copyright:
© 2018 The Combustion Institute
PY - 2018/5
Y1 - 2018/5
N2 - Butane is the smallest alkane with normal and branched isomers. To obtain insight into the effects of fuel structure and pressure on its intermediate-to-high temperature combustion chemistry, flow reactor pyrolysis and laminar burning velocities of the butane isomers were investigated at various pressures. In the pyrolysis experiments, species profiles were measured as function of the heating temperature at 0.04, 0.2 and 1 atm using synchrotron vacuum ultraviolet photoionization mass spectrometry. Laminar burning velocities of both n-butane/air and i-butane/air mixtures were measured at 298 K and 1–10 atm using spherically expanding flames. It was observed that both the pyrolysis and combustion behaviors of the butane isomers were influenced by the fuel structures. A detailed kinetic model of butane isomers was developed and validated against the new experimental data. Both rate of production analysis and sensitivity analysis were performed to give insight into the chemistry of butane pyrolysis and combustion. In the flow reactor pyrolysis, the weaker primary-tertiary C–C bond than the primary-secondary and secondary-secondary C–C bonds leads to lower initial decomposition temperatures of i-butane than n-butane. Under both pyrolysis and combustion conditions, the reaction pathways towards C2 and C3 species pool are emphasized for the decomposition of n-butane and i-butane, respectively. The more abundant production of C3 precursors explains the higher concentrations of benzene in the i-butane pyrolysis, while the higher laminar burning velocities of n-butane/air mixtures at all investigated pressures are mainly attributed to the easy production of H atom from n-butane decomposition and the dominance of the reactive C2 chemistry. Moreover, the i-butane/air flames exhibit stronger pressure dependence than the n-butane/air flames. The model was further validated against a wide range of experimental data in the literature, including ignition delay times and species profiles in flow reactor pyrolysis and oxidation, shock tube pyrolysis and oxidation, jet-stirred reactor oxidation and laminar premixed flames.
AB - Butane is the smallest alkane with normal and branched isomers. To obtain insight into the effects of fuel structure and pressure on its intermediate-to-high temperature combustion chemistry, flow reactor pyrolysis and laminar burning velocities of the butane isomers were investigated at various pressures. In the pyrolysis experiments, species profiles were measured as function of the heating temperature at 0.04, 0.2 and 1 atm using synchrotron vacuum ultraviolet photoionization mass spectrometry. Laminar burning velocities of both n-butane/air and i-butane/air mixtures were measured at 298 K and 1–10 atm using spherically expanding flames. It was observed that both the pyrolysis and combustion behaviors of the butane isomers were influenced by the fuel structures. A detailed kinetic model of butane isomers was developed and validated against the new experimental data. Both rate of production analysis and sensitivity analysis were performed to give insight into the chemistry of butane pyrolysis and combustion. In the flow reactor pyrolysis, the weaker primary-tertiary C–C bond than the primary-secondary and secondary-secondary C–C bonds leads to lower initial decomposition temperatures of i-butane than n-butane. Under both pyrolysis and combustion conditions, the reaction pathways towards C2 and C3 species pool are emphasized for the decomposition of n-butane and i-butane, respectively. The more abundant production of C3 precursors explains the higher concentrations of benzene in the i-butane pyrolysis, while the higher laminar burning velocities of n-butane/air mixtures at all investigated pressures are mainly attributed to the easy production of H atom from n-butane decomposition and the dominance of the reactive C2 chemistry. Moreover, the i-butane/air flames exhibit stronger pressure dependence than the n-butane/air flames. The model was further validated against a wide range of experimental data in the literature, including ignition delay times and species profiles in flow reactor pyrolysis and oxidation, shock tube pyrolysis and oxidation, jet-stirred reactor oxidation and laminar premixed flames.
KW - Effects of fuel structure and pressure
KW - Flow reactor pyrolysis
KW - Kinetic model
KW - Laminar burning velocity
KW - n-Butane and i-butane
UR - http://www.scopus.com/inward/record.url?scp=85041677120&partnerID=8YFLogxK
U2 - 10.1016/j.combustflame.2018.01.002
DO - 10.1016/j.combustflame.2018.01.002
M3 - Article
AN - SCOPUS:85041677120
SN - 0010-2180
VL - 191
SP - 126
EP - 141
JO - Combustion and Flame
JF - Combustion and Flame
ER -