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Title	Optimized Chemical Kinetics for Modeling Natural Gas Combustion
Creator	Frenklach, M.; Wang, Hai; Goldenberg, M.; Bowman, C. T.; Hanson, Ronald K.; Smith, Gregory P.; Golden, D. M.; Gardiner, W. C.; Lissianski, V.
Publisher	Digitized by J. Willard Marriott Library, University of Utah
Date	1995
Spatial Coverage	presented at Monterey, California
Abstract	Improved understanding of natural gas combustion chemistry, leading to the formulation and validation of a detailed reaction mechanism capable of quantitatively accounting for and modeling high temperature natural gas ignition and flame phenomena, is needed to serve as a basis for designing improved combustion devices with respect to efficiency and emissions. We have carried out a systematic optimization procedure, starting from a critically evaluated set of 177 elementary reactions, to derive a thermochemical and kinetic parameter set (GRI-Mech 1.2) that successfully accounts for a set of laboratory combustion property measurements (47 flame speeds, shock tube ignition delay times, and species profiles) over wide temperature, pressure, and composition ranges. In our presentation we will describe this optimization procedure, and present the results of validation studies on the combustion of methane and related fuels. We will also report on the performance of reduced mechanisms, derived from the full one for specific conditions to use in applications requiring shorter kinetic parameterization, and on the results of extending the optimization procedure to a detailed mechanism describing NOx formation and reburning.
Type	Text
Format	application/pdf
Language	eng
Rights	This material may be protected by copyright. Permission required for use in any form. For further information please contact the American Flame Research Committee.
Conversion Specifications	Original scanned with Canon EOS-1Ds Mark II, 16.7 megapixel digital camera and saved as 400 ppi uncompressed TIFF, 16 bit depth.
Scanning Technician	Cliodhna Davis
ARK	ark:/87278/s61j9dcn
Setname	uu_afrc
ID	8634
Reference URL	https://collections.lib.utah.edu/ark:/87278/s61j9dcn

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Title	Page 6
Format	application/pdf
OCR Text	Show /' 0.5 0.6 0.7 1000 K /T Fig. 1. Comparison of measured[9] and computed ignition delay times in a 0.2% CH4 + 2.0% 02 + 97.8% Ar mixture. 0 Ps = 2.4 mol/m3, ~ Ps = 1.9 moVm3. ~ ~ 1 o· I~ -~ ...S ~ ~ Q. ~ 0'--.......... o 0 ~ o 1 o· sL-~ __.. ..L1. ___.1 l...--_--1.1 __- --l 0.675 0.125 1()()() KIT Fig. 2. Comparison of measured[l 0] and computed concentration of CH3 radicals at half of the ignition delay in a 0.5%C2Ii6 + 9.5%CH4 + 19.0%02 + 71.0%Ar mixture, Ps = 30 mol/m3. 6 ~ 200 -~100 ~ o o 100 200 300 400 500 Time/ ~s Fig. 3. Comparison of measured[ 11] and calculated CH3 mole fractions for a 994 ppm CH4 + 2021 ppm 02 + Ar mixture at T5 = 2224 K and P5 = 1.0 atm. 1.0 ~ .~ 0.6 GIS ~ 0.2 100 300 500 Time/~ Fig. 4. Comparison ofmeasured[12] and computed OH concentrations in a 0.4%CH4 + 20%02 + 79.6%Ar mixture at Ps = 10.0 mol/m3 and Ts = 1711 K.
Setname	uu_afrc
ID	8628
Reference URL	https://collections.lib.utah.edu/ark:/87278/s61j9dcn/8628