Abstract
Numerical modeling based on chemical kinetics is a powerful technique for the analysis of many combustion phenomena including turbulent diffusion combustion, as is reviewed from time to time [1].
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References
Miller JA, Kee RJ, and Westbrook CK (1990) Chemical kinetics and combustion modeling. Ann. Rev. Phys. Chem. 41: 345–387
Westbrook CK, Warnatz J, and Pitz WJ (1989) A detailed chemical kinetic reaction mechanism for the oxidation of iso-octanz and n-heptane over an extended temperature range and its application to analysis of engine knock. 22’nd Symp.(Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 893–901
Wilk RD, Green RM, Pitz WJ, Westbrook CK, Addagarla S, Miller DL, and Cernansky NP (1990) An experimental and kinetic modeling study of the combustion of n-butane and iso-butane in an internal combustion enegine. SAE technical paper series 900028
Kennel C, Goettgens J, and Peters N (1990) The basic structure of lean propane flames. 23’rd Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 479–485
Tsang W and Hampson RF (1986) Chemical kinetic data base for combustion chemistry. Part 1. Methane and related compounds. J. Phys. Chem. Ref. Data 15:1087–1279;
Tsang W (1987) Part 2. Methanol J. Phys. Chem. Ref. Data 16:471–508;
Tsang W (1988) Part 3. Propane, J. Phys. Chem. Ref. Data 17:887–952;
Tsang W (1990) Part 4. Isobutane J. Phys. Chem. Ref. Data 19:1–68
Westbrook CK, Pitz WJ, Thornton MM, and Malte PC (1988) A kinetic modeling study of n-pentane oxidation in a well-stirred reactor. Combust. Flame 72:45–62
Westbrook CK, Creighton JC, Lund CM, and Dryer FL (1977) A numerical model of chemical kinetics of combustion in a turbulent flow reactor. J. Phys. Chem. 81:2542–2554
Wilk RD, Pitz WJ, Westbrook CK, and Cernansky NP (1990) Chemical kinetic modeling of ethene oxidation at low and intermediate temperatures. 23’rd Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 203–210
Miller JA and Melius CF (1988) A theoretical analysis of the reaction between hydroxyl and acetylene. 22’nd Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 1031–1039
Wagner AF, Slagle IR, Sarzynski D, and Gutman D (1990) Experimental and theoretical studies of the C2H5 + O2 reaction kinetics. J. Phys. Chem. 94:1853–1868
Aoyagi M and Kato S (1988) A theoretical study of the potential energy surface for the reaction OH + CO ⇀ CO2 + H. J. Chem. Phys. 88:6409–6418.
Cohen N and Westberg KR (1986) The use of transition-state theory to extrapolate rate coefficients for reactions of O atoms with alkanes. Int. J. Chem. Kinet. 18:99–140
Cohen N (1991) The use of transition-state theory to extrapolate rate coefficients for reactions of H atoms with alkanes. Int. J. Chem. Kinet. 23:683–700
Troe J (1989) Toward a quantitative understanding of elementary combustion reactions. 22’nd Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 843–862
Westbrook CK and Dryer FL (1984) Chemical kinetic modeling of hydrocarbon combustion. Prog. Energy Combust. Sci. 10:1–57
Westbrook CK and Dryer FL (1981) Chemical kinetics and modeling of combustion processes. 18’th Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 749–767
Westbrook CK and Pitz WJ (1984) A comprehensive chemical kinetic reaction mechanism for oxidation and pyrolysis of propane and propene, Combust. Sci. Technol. 37:117–152
Pitz WJ, Westbrook CK, Proscia WM, and Dryer FL (1985) A comprehensive chemical kinetic reaction mechanism for the oxidation of n-butane. 20’th Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 831–843
Coats CM and Williams A (1979) Investigation of the ignition and combustion of n-heptane-oxygen mixtures. 17’th Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 611–621
Westbrook CK and Pitz WJ (1987) Kinetic modeling of autoignition of higher hydrocarbons: n-heptane, n-octane, and iso-octane. In: Warnatz J and Jager W (ed) Complex chemical reaction systems, mathematical modeling and simulation. Springer-Verlag, Heidelberg
Axelsson EI, Brezinsky K, Dryer FL, Pitz WJ, and Westbrook CK (1987) Chemical kinetic modeling of the oxidation of large alkane fuels: n-octane and iso-octane. 21’st Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 783–793
Kern RD and Xie K (1991) Shock tube studies of gas phase reactions preceeding the soot formation process. Prog. Energy Combust. Sci. 17:191–210
Keller JO and Westbrook CK (1986) Response of a pulse combustor to changes in fuel composition. 21’st Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 547–555
Barr PK, Keller JO, Bramlette TT, Westbrook CK, and Dec JE (1990) Pulse combustor modeling: Demonstration of the importance of characteristic times. Combust. Flame 82:252–269
Sloane TM (1984) A computational study of ignition by oxygen dissociation. Combust. Sci. and Technol. 34:317–330
Westbrook CK (1982) Chemical kinetics of hydrocarbon oxidation in gaseous detonations. Combust. Flame 46:191–210
Westbrook CK and Urtiew PA (1983) Chemical kinetic prediction of critical paramaters in gaseous detonations. 19’th Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 615–623
Pitz WJ and Westbrook CK (1986) Chemical kinetics of the high pressure oxidation of n-butane and its relation to engine knock. Combust. Flame 63:113–133
Westbrook CK, Pitz WJ, and Leppard WR (1991) The autoignition chemistry of paraffinic fuels and pro-knock and anti-knock. Society of Automotive Engineers publication SAE-912314
Cernansky NP, Green RM, Pitz WJ, and Westbrook CK (1986) Chemistry of fuel oxidation preceeding end-gas autoignition. Combust. Sci. Technol. 50:3–25
Griffiths JF, Coppersthwaite D, Phillips CH, Westbrook CK, and Pitz WJ (1990) Autoignition temperatures of binary mixtures of alkanes in a closed vessel:omparisons between experimental measurements and numerical predictions. 23’rd Symp. (Intl.) on Combust., The Combustion Institute, Pittsburgh, pp 1745–1752
Miller JA and Bowman CT (1989) Mechanism and modeling of nitrogen chemistry in combustion. Prog. Energy Combust. Sci. 15:287–338
Jachimowski CJ and McLain AG (1983) A chemical kinetic mechanism for the ignition of silane/hydrogen mixtures. NASA Technical Paper 2129
Britten JA, Tong J, and Westbrook CK (1990) A numerical study of silane combustion. 23’rd Symp. (Intl.) on Combust., The Combustion Insitute, Pittsburgh, pp 195–202
Koda S (1992) Kinetic aspects of oxidation and combustion of silane and related compounds. Prog. Energy Combust. Sci. (in press)
Miller JA, Smooke MD, Green RM, and Kee RJ (1983) Kinetic modeling of the oxidation of ammonia in flames. Combust. Sci. and Technol. 34:149–176
Tieszen SR, Stamps DW, Westbrook CK, and Pitz WJ (1991) Gaseous hydrocarbon-air detonations. Combust. Flame 84:376–390
Chang W-D and Senkan SM (1989) Detailed chemical kinetic modeling of fuel-rich C2HCl3/O2//Ar flames. Environ. Sci. Technol. 23:442–450
Davidson DF and Hanson RK (1990) High temperature rate coefficients derived from N-atom ARAS measurements and excimer laser photolysis of NO. Int. J. Chem. Kinet. 22:843–861
Koshi M, Yoshimura M, Fukuda K, and Matsui H (1990) Reactions of N(4S) atoms with NO and H2. J. Chem. Phys. 93:8703–8708
Yoshimura M, Koshi M, and Matsui H. (1992) Non-Arrhenius temperature ependence of the rate constant for the reaction of H + H2S. Chem. Phys. Lett. 189:199–204
Michael JV and Wagner AF (1990) Rate constants for the reactions O + C2H2 and O + C2H2 products, over the temperature range — 850–1950 K, by the flash photolysis-shock tube technique. J. Phys. Chem. 94:2353–2464
Fisher JR and Michael JV (1990) Rate constants for the reaction D + D2O ⇀ D2 + OD by the flash photolysis-shock tube technique over the temperature range 1285–2261 K. J. Phys. Chem. 94:2465–2471
Koshi M, Nishida N, and Matsui H. (1992) Kinetics of the reactions of C2H with C2H2, H2 and D2. J. Phys. Chem. 97: (in press)
Mahmud K and Fontijn A (1987) A high temperature photochemistry kinetics study of the reaction of O(3P) atoms with acetylene from 290 to 1510 K. J. Phys. Chem. 91:1918–1921
Shin KS and Michael JV (1991) Rate constants (298–1799 K) for the reactions C2H + C2H2 ⇀ C4H2 + H and C2D + C2D2 ⇀ C4D2 + D. J. Phys. Chem. 95:5864–5869
Lange W and Wagner GJ (1975) Massenspektrometrische Untersuchungen uber Erzugung und Reaktionen von C2H-Radikalen. Ber. Bunsenges. Phys. Chem. 79:165–170
Stephens JW, Hall JL, Solka H, Yan WB, Curl RF, and Glass GP (1987) Rate constant measurements of reactions of C2H with H2, O2, C2H2 and NO using color center laser kinetic spectroscopy. J. Phys. Chem. 91:5740–5743
Laufer AH and Bass AM (1979) Photochemistry of acetylene. Bimolecular rate constant for the formation of butadyne and reactions of ethynyl radicals. J. Phys. Chem. 83:310–313
Walker RW (1985) Temperature coefficients for reactions of OH radicals with alkanes between 300 and 1000 K. Int. J. Chem. Kinet. 17:573–582
Atkinson R, Carter WPL, Aschmann SM, Winer AM, and Pitts JN Jr (1984) Kinetics of the reaction of OH radicals with alkanes between 300 and 1000 K. Int. J. Chem. Kinet. 16:469–481
Droege AT and Tully FP (1986) Hydrogen-atom abstraction reaction from alkanes by OH. 3 Propane. J. Phys. Chem. 90:1949–1954
Tully FP, Goldsmith JEM, and Droege AT (1986) Hydrogen-atom abstraction reaction from alkanes by OH. 4 Isobutane. J. Phys. Chem. 90:5932–5937
Ruiz RP and Bays KD (1984) Rates of reaction of propyl radicals with molecular oxygen. J. Phys. Chem. 88:2592–2595
Slagle IR, Balocchi F, and Gutman D (1978) Study of the reactions of oxygen atoms with hydrogen sulfide. J. Phys. Chem. 82:1333–1336
Miyoshi A, Matsui H, and Washida N (1990) Rates of reaction of hydroxyalkyl radicals with molecular oxygen. J. Phys. Chem. 94:3016–3019
Ohmori K (1992) PhD. dissertation, Faculty of Engineering, The University of Tokyo
Asaba T and Fujii N (1971) Shock-tube study of high-temperature pyrolysis of benzene. 13’th Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 155–164
Braun-Unkhoff M, Frank P, and Just Th (1988) A shock tube study on the thermal decomposition of toluene and of the phenyl radical at high temperatures. 22’nd Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 1053–1061
Frenklach M, Clary DW, Gardiner WC Jr, and Stein SE (1984) Detailed kinetic modeling of soot formation in shock-tube pyrolysis of acetylene. 20’th Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 887–901
Fujii N and Asaba T (1973) Shock-tube study of the reaction of rich mixtures of benzene and oxygen. 14’th Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 433–442
Fujii N and Asaba T (1974) Ignition of lean benzene mixtures with oxygen in shock waves. Acta Astronautica 1:417–426
Venkat C, Brezinsky K, and Glassman I (1982) High temperature oxidation of aromatic hydrocarbons. 19’th Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 143–152
Emdee JL, Brezinsky K, and Glassman I (1990) Oxidation of o-xylene. 23’rd Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 77–84
Hippler H, Reihs C, and Troe J (1990) Shock tube UV absorption study of the oxidation of benzyl radicals. 23’rd Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 37–43
Hsu DSY, Lin CY, and Lin MC (1984) CO formation in early stage high temperature benzene oxidation under fuel lean condition: kinetics of the initiation reaction, C6H6 ⇀ C6H5 + H. 20’th Symp. (Intl.) on Combustion, The Combustion Institute, Pittsburgh, pp 623–630
Thyagarajan K and Bhaskaran KA (1990) High temperature gas phase oxidation kinetics of benzene. Current Topics in Shock Waves, Amer. Inst. Phys., pp 462–467
Kiefer JH, Mizerka LJ, Patel MR, and Wei HC (1985) A shock tube investigation of major pathways in the high-temperature pyrolysis of benzene. J. Phys. Chem. 89:2013–2019
Fujii N, Sakatsume N, and Miyama H (1988) High temperature reaction of the C6H6–N2O system in shock waves. Proc. Nat. Symp. on Shock Wave Phenomena, Shock Wave Research Center, Tohoku University, pp 77–86
Warnatz J (1984) Rate coefficients in the C/H/O system. In: Gardiner WC Jr (ed) Combustion chemistry, Springer-Verlag, New York, pp 197–360
Fujii N (1991) A shock tube study of the oxidation of benzene; effects of H2 addition. Intl. Seminar on High Temp. Chem. Univ. Tokyo, pp 1–2
Westbrook CK and Miller JA (1983) (ed) Combust. Sci. Techn., Special issue on modeling of laminar flame propagation in premixed gases, vol.34
Atkinson R, Bull DC, and Shuff PJ (1980) Initiation of spherical detonation in hydrogen/air. Combust. Flame 39:287–300
Benson SW (1981) The kinetics and thermochemistry of chemical oxidation with application to combustion and flames. Prog. Energy Combust. Sci. 7:125–134
Pollard RT (1977) Hydrocarbons. In: Bamford CH and Tipper CFH (ed) Comprehensive chemical kinetics vol. 17, Gas-phase combustion. Elsevier, New York, Chapter 2
Westbrook CK and Pitz WJ (1990) Modeling of knock in spark-ignition engines. Intl. Symp. COMODIA 90:11–20
Westbrook CK, Pitz WJ, and Leppard WM (1991) The autoignition chemistry of paraffinic fuels and pro-knock and anti-knock additives: A detailed chemical kinetic study. Society of Automotive Engineers Report SAE-912314
Lyon RK (1975) Method for the reduction of the concentration of NO in combustion effluents using ammonia. U. S. Patent 3,0900,544
Perry RA and Siebers DL (1986) NO reduction using sublimation of cyanuric acid. Nature 324:657–658
Dixon-Lewis G (1979) Mechanism of inhibition of hydrogen-air flames by hydrogen bromide and its relevance to general problem of flame inhibition. Combust. Flame 36:1–14
Westbrook CK (1980) Inhibition of laminar methane-air and methanol-air flames by hydrogen bromide. Combust. Sci. Techn. 23:191–202
Westbrook CK (1982) Inhibition of hydrocarbon oxidation in laminar flames and detonations by halogenated compounds. 19’th Symp. (Intl.) on Combust., The Combustion Insitute, Pittsburgh, pp 127–141
Westbrook CK and Dryer FL (1980) Prediction of laminar flame properties of methanol-air mixtures. Combust. Flame 37: 171–192
Westbrook CK, Adamczyk AA, and Lavoie GA (1981) A numerical study of laminar flame wall quenching. Combust. Flame 40:81–99
Butler TD, Cloutman LD, Dukowicz JK, and Ramshaw JD (1981) Multidimensional numerical simulation of reactive flow internal combustion engines. Prog. Energy Combust. Sci. 7:293–315
Spalding B (1956) Theory of flame phenomena with a chain reaction. Philos. Trans. Roy. Soc. London 249A:l–25
Smooke MD (1982) Solution of burner-stabilized premixed laminar flames by boundary value methods. J. Comp. Phys. 48:72–105
Smooke MD, Miller JA, and Kee RJ (1982) Numerical solution of burner stabilized pre-mixed laminar flames by an efficient boundary value method, Numerical methods in laminar flame propagation. Friedr. Vieweg & Sohn, Wiesbaden
Smooke MD, Miller JA, and Kee RJ (1983) Determination of adiabatic flame speeds by boundary value methods. Combust. Sci. Techn. 34:79–89
Peters, N. (1985) Numerical simulation of combustion phenomena. Springer, New York, pp 90–109
Peters N and Williams FA (1987) The asymptotic structure of stoichiometric methane-air flames. Combust. Flame 68:185–207
Sano Tand Kotake S (1987) A rational algorithm for chemical kinetics; calculation of combustion flow, Numerical methods in thermal problems 5:896–906
Sano T (1991) Flame ignition of premixed methane air mixtures by a high-temperature body. 4th Int. Conf. on Numerical Combustion, pp 186–187
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Koda, S. (1993). Kinetics. In: Someya, T. (eds) Advanced Combustion Science. Springer, Tokyo. https://doi.org/10.1007/978-4-431-68228-8_4
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DOI: https://doi.org/10.1007/978-4-431-68228-8_4
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