An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures
Ultan Burke,Kieran P. Somers,Peter O’Toole,Chis M. Zinner,Nicolas Marquet,Gilles Bourque,Eric L. Petersen,Wayne K. Metcalfe,Zeynep Serinyel,Henry J. Curran +9 more
421
TL;DR: In this article, both experimental and chemical kinetic model-predicted ignition delay time data are provided covering a range of conditions relevant to gas turbine environments (T = 600-1600 K, p = 7-41 K, ϕ ǫ = 0.3, 0.5, 1.0, and 2.0 in ‘air’ mixtures).
read more
About: This article is published in Combustion and Flame. The article was published on 01 Feb 2015. and is currently open access. The article focuses on the topics: Ignition system & Flame speed.
read more
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Figures
Table 3: CH4/DME mixture compositions (% molar volume) tested in the present study. 
Figure 11: Influence of equivalence ratio for 80/20 CH4/DME mixtures. – φ = 0.3, • – φ = 0.5, N – φ = 1.0, H – φ = 2.0. Open symbols are RCM data, filled symbols ST data. Lines are Mech 56.54 predictions. 
Figure 12: Sensitivity analyses for ignition delay times at p = 10 atm and at – φ = 2.0, – φ = 1.0, – φ = 0.5. 
Table 5: Low-temperature DME reactions treated as pressure dependent. CH3O . CH2 . CH3 + CH2O 
Figure 7: Influence of equivalence ratio on CH4 mixtures at – φ = 0.3, • – φ = 0.5, N – φ = 1.0, H – φ = 2.0. Open symbols are RCM data, filled symbols ST data, half-filled symbols are tailored-interface ST data. Lines are Mech 56.54 predictions. 
Figure 16: Sensitivity analysis at 827 K and φ = 0.50 at – 12.4 atm, – 24.7 atm.
Citations
Experimental study of high temperature oxidation of dimethyl ether, n-butanol and methane
Nikita Bystrov,A. Emelianov,Alexander Eremin,Boris I. Loukhovitski,Alexander S. Sharipov,P. I. Yatsenko +5 more
TL;DR: In this paper, an experimental study of the kinetics of oxidation of dimethyl ether, n-butanol, and methane was carried out using emission and atomic resonance absorption spectroscopy.
15
Effects of water vapor on auto-ignition characteristics and laminar flame speed of methane/air mixture under engine-relevant conditions
TL;DR: In this paper , the effects of water vapor on auto-ignition characteristics and laminar flame speed of the methane/air mixture were numerically simulated by using the Chemkin code under the engine-relevant conditions.
15
Plug-Flow Reactor Study of the Partial Oxidation of Methane and Natural Gas at Ultra-Rich Conditions
TL;DR: In this paper, the homogeneous partial oxidation of fuel-rich CH4/O2, CH 4/C2H6/C3H8/H2/O 2 mixtures was investigated in a plug-flow reactor at intermediate temperatures.
15
Effect of dimethyl ether on ignition characteristics of ammonia and chemical kinetics
TL;DR: In this article , the contribution of dimethyl ether (DME) to the ignition delay times (IDTs) of ammonia(NH3) was investigated behind reflected shock waves, and an updated mechanism was proposed to reveal the promoting effect of DME on the ignition of NH3.
15
References
Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
94.9K
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
TL;DR: In this paper, a new theoretical procedure based on ab initio molecular-orbital theory for the calculation of molecular energies of compounds containing first (Li-F) and second row (Na-Cl) atoms is presented.
2.7K
A complete basis set model chemistry. VII. Use of the minimum population localization method
TL;DR: In this article, the authors demonstrate that the unphysical behavior of Mulliken populations obtained from extended basis set wave functions can lead to incomplete localization of orbitals by the Pipek-Mezey population localization method, and introduce a modification to correct this problem.
1.9K
A complete basis set model chemistry. V. Extensions to six or more heavy atoms
TL;DR: In this article, three new computational models denoted CBS−4, CBS−q, and CBS−Q, are introduced, based on the complete basis set second-order (CBS2) limit using the N−1 asymptotic convergence of N−configuration pair natural orbital (PNO) expansions.
1.5K