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Title: Advanced insights in low-temperature oxidation of dimethyl ether ? an experimental and theoretical approach.

Abstract

Abstract not provided.

Authors:
; ;
Publication Date:
Research Org.:
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1249172
Report Number(s):
SAND2015-3117C
583399
DOE Contract Number:
AC04-94AL85000
Resource Type:
Conference
Resource Relation:
Conference: Proposed for presentation at the 114th General Assembly of the German Bunsen Society for Physical Chemistry held May 14-16, 2015 in Bochum, Germany.
Country of Publication:
United States
Language:
English

Citation Formats

Moshammer, Kai Felix, Jasper, Ahren, and Hansen, Nils. Advanced insights in low-temperature oxidation of dimethyl ether ? an experimental and theoretical approach.. United States: N. p., 2015. Web.
Moshammer, Kai Felix, Jasper, Ahren, & Hansen, Nils. Advanced insights in low-temperature oxidation of dimethyl ether ? an experimental and theoretical approach.. United States.
Moshammer, Kai Felix, Jasper, Ahren, and Hansen, Nils. 2015. "Advanced insights in low-temperature oxidation of dimethyl ether ? an experimental and theoretical approach.". United States. doi:. https://www.osti.gov/servlets/purl/1249172.
@article{osti_1249172,
title = {Advanced insights in low-temperature oxidation of dimethyl ether ? an experimental and theoretical approach.},
author = {Moshammer, Kai Felix and Jasper, Ahren and Hansen, Nils},
abstractNote = {Abstract not provided.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2015,
month = 4
}

Conference:
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  • Abstract not provided.
  • A detailed chemical kinetic model has been used to study dimethyl ether (DME) oxidation over a wide range of conditions. Experimental results obtained in a jet-stirred reactor (JSR) at I and 10 atm, 0.2 < 0 < 2.5, and 800 < T < 1300 K were modeled, in addition to those generated in a shock tube at 13 and 40 bar, 0 = 1.0 and 650 :5 T :5 1300 K. The JSR results are particularly valuable as they include concentration profiles of reactants, intermediates and products pertinent to the oxidation of DME. These data test the Idnetic model severely,more » as it must be able to predict the correct distribution and concentrations of intermediate and final products formed in the oxidation process. Additionally, the shock tube results are very useful, as they were taken at low temperatures and at high pressures, and thus undergo negative temperature dependence (NTC) behavior. This behavior is characteristic of the oxidation of saturated hydrocarbon fuels, (e.g. the primary reference fuels, n-heptane and iso- octane) under similar conditions. The numerical model consists of 78 chemical species and 336 chemical reactions. The thermodynamic properties of unknown species pertaining to DME oxidation were calculated using THERM.« less
  • The ignition temperature of nitrogen-diluted dimethyl ether (DME) by heated air in counterflow was experimentally determined for DME concentration from 5.9 to 30%, system pressure from 1.5 to 3.0 atmospheres, and pressure-weighted strain rate from 110 to 170/s. These experimental data were compared with two mechanisms that were respectively available in 1998 and 2003, with the latter being a substantially updated version of the former. The comparison showed that while the 1998-mechanism uniformly over-predicted the ignition temperature, the 2003-mechanism yielded surprisingly close agreement for all experimental data. Sensitivity analysis for the near-ignition state based on both mechanisms identified the deficienciesmore » of the 1998-mechanism, particularly the specifics of the low-temperature cool flame chemistry in effecting ignition at higher temperatures, as the fuel stream is being progressively heated from its cold boundary to the high-temperature ignition region around the hot-stream boundary. The 2003-mechanism, consisting of 79 species and 398 elementary reactions, was then systematically simplified by using the directed relation graph method to a skeletal mechanism of 49 species and 251 elementary reactions, which in turn was further simplified by using computational singular perturbation method and quasi-steady-state species assumption to a reduced mechanism consisting of 33 species and 28 lumped reactions. It was demonstrated that both the skeletal and reduced mechanisms mimicked the performance of the detailed mechanism with high accuracy.« less