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www.elsevier.com/locate/combustflame
Brief Communication
0010-2180/$ see front matter 2005 Published by Elsevier Inc. on behalf of The Combustion Institute.
doi:10.1016/j.combustflame.2005.06.001
P. Puri et al. / Combustion and Flame 142 (2005) 454457 455
Table 1
Molar composition of cracked JP-7 fuel
Compound Ref. [11] B. Bullard
(private communication)
Hydrogen (H2 ) 0.0523
Methane (CH4 ) 0.281 0.5029
Ethane (C2 H6 ) 0.215 0.2053
Ethene (C2 H4 ) 0.159 0.2395
Propane (C3 H8 ) 0.135
Propene (C3 H6 ) 0.210
Two different compositions of cracked JP-7 fuel tion), under most of the conditions. The composition
are considered in the present work, as summarized in B. Bullard was thus selected as the baseline due to
in Table 1. The composition obtained by Edwards its comparative simplicity.
and Anderson [11] contains such species as methane, Fig. 1 shows the temporal evolution of tempera-
ethane, ethene, propane, and propene. It was ob- ture for a stoichiometric cracked JP-7/oxygen mixture
tained for a residence time of 1.1 s with a flow rate at 1 atm and an initial temperature of 1200 K for the
of 10 ml/min in a 0.125-in.-o.d. 304 stainless-steel baseline composition. The ignition delay time is char-
tube. Temperatures above 850 K and pressures above acterized by a sharp increase in the temperature pro-
68 atm were applied for an 80% conversion. The other file resulting from highly exothermic reactions with
composition, adopted from B. Bullard (private com- large activation energies. An ignition process of this
munication), consists of hydrogen, methane, ethane, kind is normally driven by free radical chain reac-
and ethene and shows an absence of C3 hydrocarbons. tions, comprising the initiation, propagation, branch-
The exact cracking conditions are not available. ing, and termination stages. The initial horizontal por-
The chemical kinetic mechanisms used in the tion of the profile represents the induction time as-
present study were acquired from three different sociated with various chain initiation reactions. The
sources. The first one, taken from GRI-Mech-3.0 [12], figure also shows the evolution of various species.
involves 53 species and 325 reactions. The second Formaldehyde (CH2 O) is prominent in hydrocarbon
scheme, developed by Williams [13], includes de- reactions and is involved at the final stage of conver-
tailed reactions for C3 species like C3 H6 and C3 H8 . sion to carbon oxides. Water is formed at each stage,
The third scheme was developed by Marinov et al. principally by an H-atom abstraction in a propagation
[14] to model aromatic and polycyclic aromatic hy- process of the form RH + OH R + H2 O, where
drocarbon (PAH) formation in fuel-rich, n-butane/ RH represents any intermediate molecule. Formation
oxygen/argon, propane/oxygen flames at atmospheric of H2 O and CO2 and reactions involving radicals like
pressure. This mechanism was previously validated H, O, HO2 , OH in the terminating processes are the
against experimental data for modeling ethane, ethyl- main sources of heat release and result in a rapid in-
ene, and methane flames under fuel-rich conditions. crease in temperature.
GRI-Mech is the basic mechanism employed herein, The ignition delay time represents the time for
and the other two were selected due to the lack of C3 fractional completion of the reaction at given temper-
kinetics in GRI-Mech. ature and pressure. For premixed fuel and oxygen, it
The chemical kinetic schemes were incorporated can be written mathematically as
into the Chemkin II Package [15] to study the ig-
nition characteristics of cracked JP-7 with both air = A exp(E/Ru T )[F]a [O2 ]b , (1)
and oxygen. The resultant linear differential equations
were solved using the LSODE solver, and correla- where is the ignition delay time (in s), E the global
tions for ignition delay times were established using activation energy (in kcal/kmol), T the initial tem-
the least-squares-fit technique. As will be shown later, perature (in K), Ru the universal gas constant (in
there is little difference in ignition delay times be- kcal/kmol K), [F] and [O2 ] the fuel and oxygen con-
tween the cracked compositions given in Edwards and centrations (in mol/m3 ), and A the preexponential
Anderson [11] and B. Bullard (private communica- factor. Equation (1) can be further expressed in terms
456 P. Puri et al. / Combustion and Flame 142 (2005) 454457
Table 2
Activation energies for ignition delay time of cracked JP-7,
hydrogen, and hydrocarbons with oxygen
Fuel E (kcal/kmol)
Hydrogen 19,700a
Methane 45,000a
Ethylene 35,000a
Heptane 40,160a
JP-10 43,855a
JP-7 (cracked) 39,167
a Obtained from Ref. [1].
Ref. [14]. For the composition including C3 species thors are deeply grateful to Dr. T. Edwards for provid-
[11], ing technical information on JP-7 fuel.
For the composition given in by Bullard (private com- [1] M.B. Colket, L.J. Spadaccini, J. Propul. Power 17
munication), the expression for ignition delay time (2001) 315323.
can be written as [2] J.Y. Choi, V. Yang, AIAA Paper 2003-5207, July 2003.
[3] T. Edwards, J. Propul. Power 19 (2003) 10891107.
= 2.61 1010 exp(42,463/Ru T ) [4] T. Edwards, L.Q. Maurice, J. Propul. Power 17 (2001)
461466.
[F]0.1873 [O2 ]0.5130 . (14) [5] D.F. Davidson, D.C. Horning, J.T. Herbon, R.K. Han-
This kinetic scheme also shows an 8.9% increase in son, Proc. Combust. Inst. 28 (2001) 16871692.
[6] S.C. Li, B. Varatharajan, F.A. Williams, AIAA J. 39
activation energy and a negligible decrease in the pre-
(2001) 23512356.
exponential factor for the C3 composition. In general, [7] W.D. Schulz, Prepr. Am. Chem. Soc. Div. Pet.
the scheme of Williams [13] results in an ignition Chem. 37 (1992) 372383.
delay time longer than that predicted based on the [8] A. Violi, S. Yan, E.G. Eddings, A.F. Sarofim, S.
mechanism of Marinov et al. [14], especially at higher Granata, T. Faravelli, E. Ranzi, Combust. Sci. Tech-
temperatures. nol. 174 (2002) 399417.
[9] M.A. Mawid, T.W. Park, B. Sekar, C.A. Arana, ASME
Int. Gas Turbine Inst. Publ. IGTI 2 (2003) 613624.
4. Conclusions [10] L.Q. Maurice, S.S. Sidhu, J.J. Graham, D.C Kirk, 22nd
International Symposium on Shock Waves, London,
The ignition delay of cracked JP-7 fuel in both July 1823, 1999.
air and oxygen has been studied using three different [11] T. Edwards, S.D. Anderson, Prepr. Am. Chem. Soc.
chemical kinetic schemes. The work covers a broad Div. Pet. Chem. 37 (1992) 549559.
range of pressures (120 atm), temperatures (1200 [12] G.P. Smith, D.M. Golden, M. Frenklach, N.W. Mori-
arty, B. Eiteneer, M. Goldenberg, C.T. Bowman, R.K.
2000 K), and equivalence ratios (0.51.5). The effect
Hanson, S. Song, W.C. Gardiner Jr., V.V. Lissianski, Z.
of cracked-fuel composition was also examined. The
Qin, http://www.me.berkeley.edu/gri_mech/, Novem-
presence of C3 species tends to reduce the ignition ber 2004.
delay time over the temperatures of concern, but the [13] F.A. Williams, http://maemail.ucsd.edu/combustion/,
difference appears to be limited. November 2004.
[14] N.M. Marinov, W.J. Pitz, C.K. Westbrook, A.M. Vinci-
tore, M.J. Castaldi, S.M. Senkan, Combust. Flame 114
Acknowledgments (1998) 192213.
[15] R.J. Kee, F.M. Rumpley, J.A. Miller, Chemkin-II:
This work was sponsored by the NASA Marshall A Fortran Chemical Kinetics Package for the Analysis
Space Flight Center under Grant NAG8-187, with Mr. of Gas Phase Chemical Kinetics, Gov. Pub. SAND89-
B. Bullard serving as the program manager. The au- 9009B, September 1989.