TY - JOUR
T1 - Oxidation of Propane at Elevated Pressures
T2 - Experiments and Modelling
AU - Hoffman, J. S.
AU - Lee, W.
AU - Litzinger, T. A.
AU - Santavicca, D. A.
AU - Pitz, W. J.
N1 - Funding Information:
Valuable discussions with Dr. Charles Westbrook are greatly appreciated. The flow reactor portion of this study was supported by a National Science Foundation Presidential Young Investigator Award. The computational portions of this work was supported by the U.S. Deparlment of Energy, Office of Energy Utilization Research, Division of Energy Conversion and Utilization Technologies and the Office of Basic Energy Sciences. Chemical Sciences Branch, and were performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory Contract No. W-740S-ENG-48.
PY - 1991/5/1
Y1 - 1991/5/1
N2 - The oxidation of propane in air at elevated pressure was investigated in a chemical flow reactor and modelled with a comprehensive chemical kinetic model. Results are presented for pressures of 3. 6, and 10 atmospheres, temperatures near 850 and 900 K, and equivalence ratio of 0.3. Gas samples were analyzed using gas chromatography with aldehydes additionally sampled using a dinitrophenylhydrazine/acetonitrile(DNPH/ACN) procedure. Major product species observed include C3H6, C2H4 and CO; trace amounts of CH4 and CO2 were detected, as well as H2 and oxygenated species including CH2O, CH3CHO, C3H6O, and C2H5CHO. Fuel conversion was increased with increased pressure and temperature, and the product distribution was significantly shifted in favor of C3H6 over C2H4 with increased pressure and decreased temperature. Comparison between modelling and measured results for ethylene concentrations supported the use of Tsang's recent values for the rate of propyl radical decomposition. The model compared well to fuel and major intermediates at 6 and 10 atm; however, at 3 atm, the model deviated significantly from the experimental results. Also, a comparison to oxygenated intermediates and H2 indicates a need for additional model development. Major production paths are obtained from the model and discussed.
AB - The oxidation of propane in air at elevated pressure was investigated in a chemical flow reactor and modelled with a comprehensive chemical kinetic model. Results are presented for pressures of 3. 6, and 10 atmospheres, temperatures near 850 and 900 K, and equivalence ratio of 0.3. Gas samples were analyzed using gas chromatography with aldehydes additionally sampled using a dinitrophenylhydrazine/acetonitrile(DNPH/ACN) procedure. Major product species observed include C3H6, C2H4 and CO; trace amounts of CH4 and CO2 were detected, as well as H2 and oxygenated species including CH2O, CH3CHO, C3H6O, and C2H5CHO. Fuel conversion was increased with increased pressure and temperature, and the product distribution was significantly shifted in favor of C3H6 over C2H4 with increased pressure and decreased temperature. Comparison between modelling and measured results for ethylene concentrations supported the use of Tsang's recent values for the rate of propyl radical decomposition. The model compared well to fuel and major intermediates at 6 and 10 atm; however, at 3 atm, the model deviated significantly from the experimental results. Also, a comparison to oxygenated intermediates and H2 indicates a need for additional model development. Major production paths are obtained from the model and discussed.
UR - https://www.scopus.com/pages/publications/84972834626
UR - https://www.scopus.com/pages/publications/84972834626#tab=citedBy
U2 - 10.1080/00102209108951722
DO - 10.1080/00102209108951722
M3 - Article
AN - SCOPUS:84972834626
SN - 0010-2202
VL - 77
SP - 95
EP - 125
JO - Combustion science and technology
JF - Combustion science and technology
IS - 1-3
ER -