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

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.
 [1] ;  [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [5] ;  [6]
  1. Tsinghua Univ., Beijing (China). Center for Combustion Energy and Dept. of Thermal Engineering
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Combustion Research Facility
  3. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  4. Univ. of Science and Technology of China, Hefei (China). National Synchrotron Radiation Lab.
  5. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Combustion Research Facility; Bielefeld Univ. (Germany). Dept. of Chemistry
  6. Tsinghua Univ., Beijing (China). Center for Combustion Energy and Dept. of Thermal Engineering; Princeton Univ., NJ (United States). Dept. of Mechanical and Aerospace Engineering
Publication Date:
Report Number(s):
Journal ID: ISSN 0010-2180; 649817
Grant/Contract Number:
AC04-94AL85000; AC04-94-AL85000; SC0001198; AC52-07NA27344; AC02-05CH11231
Accepted Manuscript
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 164; Journal Issue: C; Journal ID: ISSN 0010-2180
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
09 BIOMASS FUELS; Dimethyl carbonate (DMC); Pyrolysis; Laminar premixed flame; Kinetic model
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1249638