TY - JOUR
T1 - An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion
AU - Sun, Wenyu
AU - Yang, Bin
AU - Hansen, Nils
AU - Westbrook, Charles K.
AU - Zhang, Feng
AU - Wang, Gao
AU - Moshammer, Kai
AU - Law, Chung K.
N1 - Funding Information:
This research is mostly supported by the Natural Science Foundation of China ( 51306102 , U1332208 ). NH is supported by the U.S. Department of Energy (USDOE), Office of Basic Energy Sciences (BES) under Grant No. DE-AC04-94-AL85000 and DE-SC0001198 (the Energy Frontier Research Center for Combustion Science). The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies. The measurements were performed within the "Flame Team" collaboration at the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, USA, and we thank the students and postdocs for the help with the data acquisition. The experiments were profited from the expert technical assistance of Paul Fugazzi. The Advanced Light Source is supported by the Director, Office of Science, BES, USDOE under Contract No. DE-AC02-05CH11231. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. The authors thank Prof. Katharina Kohse-Höinghaus of Bielefeld University and Prof. Fei Qi of Shanghai Jiaotong University for their supports of this work, helpful discussions and critical review of the manuscript.
Publisher Copyright:
© 2015 The Combustion Institute.
PY - 2016/2/1
Y1 - 2016/2/1
N2 - Dimethyl carbonate (DMC) is a promising oxygenated additive or substitute for hydrocarbon fuels, because of the absence of C-C bonds and the large oxygen content in its molecular structure. To better understand its chemical oxidation and combustion kinetics, flow reactor pyrolysis at different pressures (40, 200 and 1040 mbar) and low-pressure laminar premixed flames with different equivalence ratios (1.0 and 1.5) were investigated. Mole fraction profiles of many reaction intermediates and products were obtained within estimated experimental uncertainties. From theoretical calculations and estimations, a detailed kinetic model for DMC pyrolysis and high-temperature combustion consisting of 257 species and 1563 reactions was developed. The performance of the kinetic model was then analyzed using detailed chemical composition information, primarily from the present measurements. In addition, it was examined against the chemical structure of an opposed-flow diffusion flame, relying on global combustion properties such as the ignition delay times and laminar burning velocities. These extended comparisons yielded overall satisfactory agreement, demonstrating the applicability of the present model over a wide range of high-temperature conditions.
AB - Dimethyl carbonate (DMC) is a promising oxygenated additive or substitute for hydrocarbon fuels, because of the absence of C-C bonds and the large oxygen content in its molecular structure. To better understand its chemical oxidation and combustion kinetics, flow reactor pyrolysis at different pressures (40, 200 and 1040 mbar) and low-pressure laminar premixed flames with different equivalence ratios (1.0 and 1.5) were investigated. Mole fraction profiles of many reaction intermediates and products were obtained within estimated experimental uncertainties. From theoretical calculations and estimations, a detailed kinetic model for DMC pyrolysis and high-temperature combustion consisting of 257 species and 1563 reactions was developed. The performance of the kinetic model was then analyzed using detailed chemical composition information, primarily from the present measurements. In addition, it was examined against the chemical structure of an opposed-flow diffusion flame, relying on global combustion properties such as the ignition delay times and laminar burning velocities. These extended comparisons yielded overall satisfactory agreement, demonstrating the applicability of the present model over a wide range of high-temperature conditions.
KW - Dimethyl carbonate (DMC)
KW - Kinetic model
KW - Laminar premixed flame
KW - Pyrolysis
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U2 - 10.1016/j.combustflame.2015.11.019
DO - 10.1016/j.combustflame.2015.11.019
M3 - Article
AN - SCOPUS:84957431246
SN - 0010-2180
VL - 164
SP - 224
EP - 238
JO - Combustion and Flame
JF - Combustion and Flame
ER -