Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames

Won, Sang Hee; Sun, Wenting; Ju, Yiguang

doi:10.1016/j.combustflame.2009.11.016

Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames

Journal Article · · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2009.11.016· OSTI ID:1064741

Won, Sang Hee; Sun, Wenting; Ju, Yiguang

The impact of toluene addition in n-decane on OH concentrations, maximum heat release rates, and extinction limits were studied experimentally and computationally by using counterflow diffusion flames with laser induced fluorescence imaging. Sensitivity analyses of kinetic path ways and species transport on flame extinction were also conducted. The results showed that the extinction strain rate of n-decane/toluene/nitrogen flames decreased significantly with an increase of toluene addition and depended linearly on the maximum OH concentration. It was revealed that the maximum OH concentration, which depends on the fuel H/C ratio, can be used as an index of the radical pool and chemical heat release rate, since it plays a significant role on the heat production via the reaction with other species, such as CO, H{sub 2}, and HCO. Experimental results further demonstrated that toluene addition in n-decane dramatically reduced the peak OH concentration via H abstraction reactions and accelerated flame extinction via kinetic coupling between toluene and n-decane mechanisms. Comparisons between experiments and simulations revealed that the current toluene mechanism significantly over-predicts the radical destruction rate, leading to under-prediction of extinction limits and OH concentrations, especially caused by the uncertainty of the H abstraction reaction from toluene, which rate coefficient has a difference by a factor of 5 in the tested toluene models. In addition, sensitivity analysis of diffusive transport showed that in addition to n-decane and toluene, the transport of OH and H also considerably affects the extinction limit. A reduced linear correlation between the extinction limits of n-decane/toluene blended fuels and the H/C ratio as well as the mean fuel molecular weight was obtained. The results suggest that an explicit prediction of the extinction limits of aromatic and alkane blended fuels can be established by using H/C ratio (or radical index) and the mean fuel molecular weight which represent the rates of radical production and the fuel transport, respectively.

Research Organization:: Energy Frontier Research Centers (EFRC); Combustion Energy Frontier Research Center (CEFRC)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: SC0001198

OSTI ID:: 1064741

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 3 Vol. 157; ISSN 0010-2180

Country of Publication:: United States

Language:: English

References (33)

On the extinction limit and flammability limit of non-adiabatic stretched methane–air premixed flames Ju, Yiguang; Guo, Hongsheng; Maruta, Kaoru Journal of Fluid Mechanics, Vol. 342 https://doi.org/10.1017/S0022112097005636	journal	July 1997
Asymptotic theory of flame extinction with surface radiation Chao, B. H.; Law, C. K. Combustion and Flame, Vol. 92, Issue 1-2 https://doi.org/10.1016/0010-2180(93)90195-9	journal	January 1993
Homogeneous charge compression ignition of binary fuel blends Mittal, Gaurav; Sung, Chih-Jen Combustion and Flame, Vol. 155, Issue 3 https://doi.org/10.1016/j.combustflame.2008.05.003	journal	November 2008
Raman-LIF measurements of temperature, major species, OH, and NO in a methane-air bunsen flame Nguyen, Q. V.; Dibble, R. W.; Carter, C. D. Combustion and Flame, Vol. 105, Issue 4 https://doi.org/10.1016/0010-2180(96)00226-X	journal	June 1996
Laminar flow between parallel plates with injection of a reactant at high reynolds number Seshadri, K.; Williams, F. A. International Journal of Heat and Mass Transfer, Vol. 21, Issue 2 https://doi.org/10.1016/0017-9310(78)90230-2	journal	February 1978
Ignition and extinction of non-premixed flames of single-component liquid hydrocarbons, jet fuels, and their surrogates Holley, A. T.; Dong, Y.; Andac, M. G. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.208	journal	January 2007
The combustion of kerosene: Experimental results and kinetic modelling using 1- to 3-component surrogate model fuels Dagaut, Philippe; El Bakali, Abderrahman; Ristori, Alain Fuel, Vol. 85, Issue 7-8 https://doi.org/10.1016/j.fuel.2005.10.008	journal	May 2006
HCCI experiments with toluene reference fuels modeled by a semidetailed chemical kinetic model Andrae, J. C. G.; Brinck, T.; Kalghatgi, G. T. Combustion and Flame, Vol. 155, Issue 4 https://doi.org/10.1016/j.combustflame.2008.05.010	journal	December 2008
Addition of toluene and ethylbenzene to mixtures of H2 and O2 at 772 K: Part 2: formation of products and determination of kinetic data for H+ additive and for other elementary reactions involved Ellis, Colin; Scott, Michael S.; Walker, Raymond W. Combustion and Flame, Vol. 132, Issue 3 https://doi.org/10.1016/S0010-2180(02)00439-X	journal	February 2003
Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels Farrell, J. T.; Cernansky, N. P.; Dryer, F. L. SAE World Congress & Exhibition, SAE Technical Paper Series https://doi.org/10.4271/2007-01-0201	conference	April 2007
Reference components of jet fuels: kinetic modeling and experimental results Agosta, A.; Cernansky, N. P.; Miller, D. L. Experimental Thermal and Fluid Science, Vol. 28, Issue 7 https://doi.org/10.1016/j.expthermflusci.2003.12.006	journal	September 2004
Experimental and modeling study of the oxidation of toluene Bounaceur, R.; Da Costa, I.; Fournet, R. International Journal of Chemical Kinetics, Vol. 37, Issue 1 https://doi.org/10.1002/kin.20047	journal	January 2004
Development of an Experimental Database and Kinetic Models for Surrogate Jet Fuels Edwards, Tim; Colket, Meredith; Cernansky, Nick 45th AIAA Aerospace Sciences Meeting and Exhibit https://doi.org/10.2514/6.2007-770	conference	June 2012
Lewis number effects in laminar diffusion flames near and away from extinction Chen, Ruey-Hung; Chaos, Marcos; Kothawala, Anupam Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.07.101	journal	January 2007
On the collisional quenching of electronically excited OH, NH and CH in flames Garland, Nancy L.; Crosley, David R. Symposium (International) on Combustion, Vol. 21, Issue 1 https://doi.org/10.1016/S0082-0784(88)80402-8	journal	January 1988
Structure and extinction of convective diffusion flames with general Lewis numbers Chung, S. H.; Law, C. K. Combustion and Flame, Vol. 52 https://doi.org/10.1016/0010-2180(83)90121-9	journal	January 1983
Structure of laminar flames Dixon-Lewis, Graham Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80274-2	journal	January 1991
Computational and experimental study of JP-8, a surrogate, and its components in counterflow diffusion flames Cooke, James A.; Bellucci, Matteo; Smooke, Mitchell D. Proceedings of the Combustion Institute, Vol. 30, Issue 1 https://doi.org/10.1016/j.proci.2004.08.046	journal	January 2005
Subatmospheric Extinction of Opposed Jet Diffusion Flames of Jet Fuel and its Surrogates Dattarajan, Srinivasan; Park, Okjoo; Fisher, Elizabeth 47th AIAA Aerospace Sciences Meeting including The New Horizons Forum and Aerospace Exposition https://doi.org/10.2514/6.2009-1182	conference	June 2012
Laminar flame speeds and extinction limits of preheated n-decane/O2/N2 and n-dodecane/O2/N2 mixtures Kumar, Kamal; Sung, Chih-Jen Combustion and Flame, Vol. 151, Issue 1-2 https://doi.org/10.1016/j.combustflame.2007.05.002	journal	October 2007
Jet fuel ignition delay times: Shock tube experiments over wide conditions and surrogate model predictions Vasu, Subith S.; Davidson, David F.; Hanson, Ronald K. Combustion and Flame, Vol. 152, Issue 1-2 https://doi.org/10.1016/j.combustflame.2007.06.019	journal	January 2008
Experimental and kinetic modeling study of combustion of JP-8, its surrogates and reference components in laminar nonpremixed flows Humer, S.; Frassoldati, A.; Granata, S. Proceedings of the Combustion Institute, Vol. 31, Issue 1 https://doi.org/10.1016/j.proci.2006.08.008	journal	January 2007
Propagation and Extinction of Mixtures of Air with n-Dodecane, JP-7, and JP-8 Jet Fuels Ji, C.; You, X.; Holley, A. 46th AIAA Aerospace Sciences Meeting and Exhibit https://doi.org/10.2514/6.2008-974	conference	June 2012
Structural response of counterflow diffusion flames to strain rate variations Sung, C. J.; Liu, J. B.; Law, C. K. Combustion and Flame, Vol. 102, Issue 4 https://doi.org/10.1016/0010-2180(95)00041-4	journal	September 1995
Experimental formulation and kinetic model for JP-8 surrogate mixtures Violi, A.; Yan, S.; Eddings, E. G. Combustion Science and Technology, Vol. 174, Issue 11-12 https://doi.org/10.1080/00102200215080	journal	November 2002
The asymptotic structure of counterflow diffusion flames for large activation energies Liñán, Amable Acta Astronautica, Vol. 1, Issue 7-8 https://doi.org/10.1016/0094-5765(74)90066-6	journal	July 1974
A study of jet fuel sooting tendency using the threshold sooting index (TSI) model Yang, Yi; Boehman, André L.; Santoro, Robert J. Combustion and Flame, Vol. 149, Issue 1-2 https://doi.org/10.1016/j.combustflame.2006.11.007	journal	April 2007
Experimental study and modeling of kerosene oxidation in a jet-stirred flow reactor Guéret, Corinne; Cathonnet, Michel; Boettner, Jean-Claude Symposium (International) on Combustion, Vol. 23, Issue 1 https://doi.org/10.1016/S0082-0784(06)80261-4	journal	January 1991
Aspects of soot dynamics as revealed by measurements of broadband fluorescence and flame luminosity in flickering diffusion flames Smyth, K. Combustion and Flame, Vol. 111, Issue 3 https://doi.org/10.1016/S0010-2180(97)00017-5	journal	November 1997
Sensitivity of propagation and extinction of large hydrocarbon flames to fuel diffusion Holley, A. T.; You, X. Q.; Dames, E. Proceedings of the Combustion Institute, Vol. 32, Issue 1 https://doi.org/10.1016/j.proci.2008.05.067	journal	January 2009
Combustion Enhancement via Stabilized Piecewise Nonequilibrium Gliding Arc Plasma Discharge Ombrello, Timothy; Qin, Xiao; Ju, Yiguang AIAA Journal, Vol. 44, Issue 1 https://doi.org/10.2514/1.17018	journal	January 2006
Autoignition of toluene reference fuels at high pressures modeled with detailed chemical kinetics Andrae, J. C. G.; Björnbom, P.; Cracknell, R. F. Combustion and Flame, Vol. 149, Issue 1-2 https://doi.org/10.1016/j.combustflame.2006.12.014	journal	April 2007
Development of an Experimental Database and Chemical Kinetic Models for Surrogate Gasoline Fuels Pitz, W. J.; Cernansky, N. P.; Dryer, F. L. SAE World Congress & Exhibition, SAE Technical Paper Series https://doi.org/10.4271/2007-01-0175	conference	April 2007

Similar Records

Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames

Journal Article · Mon Mar 15 00:00:00 EDT 2010 · Combustion and Flame · OSTI ID:21285629

Pressure effects on reactivity and extinction of n-dodecane diffusion cool flame

Journal Article · Sat May 13 00:00:00 EDT 2023 · Combustion and Flame · OSTI ID:2421748

An experimental and kinetic modeling study of the autoignition of {alpha}-methylnaphthalene/air and {alpha}-methylnaphthalene/n-decane/air mixtures at elevated pressures

Journal Article · Fri Oct 15 00:00:00 EDT 2010 · Combustion and Flame · OSTI ID:21350374

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
biofuels (including algae and biomass)
hydrogen and fuel cells
combustion
carbon capture

Kinetic effects of toluene blending on the extinction limit of n-decane diffusion flames

Citation Formats

References (33)

Similar Records

Related Subjects