An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion

Sun, Wenyu; Yang, Bin; Hansen, Nils; Westbrook, Charles K.; Zhang, Feng; Wang, Gao; Moshammer, Kai; Law, Chung K.

doi:10.1016/j.combustflame.2015.11.019

An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion

Journal Article · Tue Dec 08 00:00:00 EST 2015 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2015.11.019· OSTI ID:1338385

Sun, Wenyu ^[1]; Yang, Bin ^[1]; Hansen, Nils ^[2]; Westbrook, Charles K. ^[3]; Zhang, Feng ^[4]; Wang, Gao ^[4]; Moshammer, Kai ^[5]; Law, Chung K. ^[6]

Tsinghua Univ., Beijing (China). Center for Combustion Energy and Dept. of Thermal Engineering
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Combustion Research Facility
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Univ. of Science and Technology of China, Hefei (China). National Synchrotron Radiation Lab.
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Combustion Research Facility; Bielefeld Univ. (Germany). Dept. of Chemistry
Tsinghua Univ., Beijing (China). Center for Combustion Energy and Dept. of Thermal Engineering; Princeton Univ., NJ (United States). Dept. of Mechanical and Aerospace Engineering

Because of the absence of C–C bonds and the large oxygen content in its molecular structure, dimethyl carbonate (DMC) is a promising oxygenated additive or substitute for hydrocarbon fuels. In order to 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. Furthermore, these extended comparisons yielded overall satisfactory agreement, demonstrating the applicability of the present model over a wide range of high-temperature conditions.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; AC04-94AL85000; AC52-07NA27344; SC0001198

OSTI ID:: 1338385

Alternate ID(s):: OSTI ID: 1249638
OSTI ID: 1785924

Report Number(s):: LLNL-JRNL--738000; SAND2016--12481J; 649817

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: C Vol. 164; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Measurements and kinetic study on the ignition delay time of dimethyl carbonate/n-heptane/oxygen/argon mixtures Gao, Zhenhua; Hu, Erjiang; Xu, Zhaohua Taylor & Francis https://doi.org/10.6084/m9.figshare.5926639	text	January 2018
Measurements and kinetic study on the ignition delay time of dimethyl carbonate/n-heptane/oxygen/argon mixtures Gao, Zhenhua; Hu, Erjiang; Xu, Zhaohua Taylor & Francis https://doi.org/10.6084/m9.figshare.5926639.v1	text	January 2018

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