El proceso de autoencendido con carga homogénea en MCIA
2.6. Resumen
Edwards y col. [140] definen dos problemas de optimización entero mixtos no linea- les en el que los criterios son respectivamente la minimización del número de reacciones y el número de especies, utilizando para su resolución algoritmos genéticos. En un tra- bajo posterior [141], estos investigadores amplían los posibles problemas objetivo distin- guiendo entre reducción de reacciones o de especies y reactores en estado estacionario y transitorio. En este caso utilizan para la resolución de diversos ejemplos un programa de optimización discreta denominado DICOPT++ programado en el entorno GAMS.
Petzold y Zhu [142] consideran un problema en el que el criterio a minimizar es la diferencia entre los resultados del mecanismo detallado con los del reducido. En este trabajo la variable que se debe calcular es un vector binario que define las especies incluidas en el esquema reducido mientras que los criterios del problema son los dos sistemas de ecuaciones diferenciales (detallado y reducido) y el tamaño del mecanismo reducido definido por los umbrales mínimo y máximo. Además, añaden un función g que relaja el carácter binario de los elementos del vector solución. Para resolver el problema utilizan programación cuadrática secuencial.
Bhattacharjee y col. [143] consideran como criterio la minimización del número de reacciones, mientras que las restricciones se construyen como las diferencias entre las funciones que describen el sistema detallado y las que describen el reducido. Las res- tricciones así construidas son expresiones algebraicas, por lo que el problema de opti- mización definido es lineal, lo que permite garantizar que el resultado obtenido es un óptimo global.
Recientemente, Elliot y col. [144] emplean algoritmos genéticos de forma directa, no como metodología de resolución de un problema de optimización. Los algoritmos gené- ticos evalúan el comportamiento de los individuos de una generación, donde cada indi- viduo representa a un mecanismo reducido candidato, midiendo la similitud entre los resultados obtenidos con los mecanismos detallado y candidato. En el trabajo de Elliot y col. cada gen de un individuo representa a una especie del mecanismo completo, siendo ésta incluida en el mecanismo reducido si el gen tiene un valor de 1 y excluida si su valor es 0. Los individuos tienen descendencia y mutan generando nuevas poblaciones hasta que el algoritmo converge a una solución óptima.
2.6. Resumen una revisión bibliográfica que prueba las limitaciones de dichos índices para caracteri- zar el proceso de autoencendido. A continuación se resumen algunos conceptos básicos de cinética-química. Debido a que el combustible diésel está formado fundamentalmen- te por tres tipos de compuestos (alcanos, aromáticos y cicloalcanos), se describen las principales características de sus mecanismos de reacción, así como las reacciones de co-oxidación. También se presentan el análisis de sensibilidad y el análisis de reacciones como dos herramientas que permiten realizar un análisis profundo de la cinética de un proceso de combustión. En la parte final del capítulo, se revisan las principales técnicas de reducción de mecanismos cinéticos existentes en la actualidad. Los mecanismos de reacción reducidos, obtenidos a partir de los esquemas detallados de los combustibles de sustitución, pueden ser utilizados junto con modelos fluido-dinámicos, de forma que sea posible simular un proceso de combustión real un tiempo de cálculo razonable.
[1] Payri, F., Guardiola, C. Futuro de los motores diésel. Evolución tecnológica.Revista de la sociedad de técnicos en automoción, 151:35–42, 2002.
[2] Heywood, J. B. Internal combustion engine fundamentals. Mc Graw Hill, 1988.
[3] Ball, G. A. Photographic studies of cool flames and knock in an engine. En Proceedings of the Symposium (International) on combustion, volume 5, pages 356–366, 1955.
[4] Smith, J., Green, R., Westbrook, C., Pitz, W. An experimental and modeling of engine knock. EnTwentieth symposium (International) on Combustion, pages 91–100, 1984.
[5] Kawahara, N., Tomita, E., Sakata, Y. Auto-ignited kernels during knocking com- bustion in a spark-ignition engine. Proceedings of the Combustion Institute, 31:2999–
3006, 2007.
[6] Litzinger, T. A. A review of experimental studies of knock chemistry in engines.
Progress in Energy and Combustion Science, 16:155–167, 1990.
[7] Griffiths, J. Reduced kinetic models and their application to practical combustion systems. Progress in Energy and Combustion Science, 21:25–107, 1995.
[8] Halstead, M., Kirsch, L., Quinn, C. The autoignition of hydrocarbon fuels at high temperatures and pressures-fitting of a mathematical model. Combustion and Fla- me, 30:45–60, 1977.
[9] Cox, R., Cole, J. Chemical aspects of the autoignition of hydrocarbon-air mixtures.
Combustion and Flame, 60:109–123, 1985.
[10] REAL DECRETO 61/2006, de 31 de enero, por el que se determinan las especifi- caciones de gasolinas, gasóleos, fuelóleos y gases licuados del petróleo y se regula el uso de determinados biocarburantes.
[11] Onishi, S., Hong Jo, S., Shoda, K., Do Jo, P., Kato, S. Active thermo-atmosphere combustion (ATAC) - A new combustion process for internal combustion engines.
SAE paper 790501.
[12] Noguchi, M., Tanaka, Y., Tanaka, T., Takeuchi, Y. A study on gasoline engine combustion by observation of intermediate reactive products during combustion.
SAE paper 790840.
[13] Najt, P. M., Foster, D. E. Compression-ignited homogeneous charge combustion.
SAE paper 830264.
[14] Zhao, F. F., Asmus, T. W., Assanis, D. N., Dec, J. E., Eng, J. A., Najt, P. M., editors.
Homogeneous Charge Compression Ignition (HCCI) engines. SAE International, 2003.
[15] Christensen, M., Johansson, B., Amnéus, P., Mauss, F. Supercharged homogeneous charge compression ignition. SAE paper 980787.
Referencias [16] Carney, D. Internal combustion: the next generation.Automotive Engineering Inter-
national, 116:34–37, 2008.
[17] Hultqvist, A., Christensen, M., Johansson, B., Richter, M., Nygren, J., Hult, J., Al- den, M. The HCCI combustion process in a single cycle - high speed fuel tracer LIF and chemiluminiscence imaging. SAE paper 2002-01-0424.
[18] Johansson, B. Homogeneous charge compression ignition. the future of IC en- gines? En Proceedings of the ICAT 2004 International Conference on Automotive Te- chnology Future Automotive Technologies on Powertrain and Vehicle. Istanbul /Turkey, 2004.
[19] Pinchon, P., Walter, B., Réveille, B., Miche, M. New concepts for diesel combus- tion. En Proceedings of the conference on Thermo and fluid processes in diesel engines (THIESEL), 2004.
[20] Ryan III, T., Callahan, T. J. Homogeneous charge compresion ignition of diesel fuel. SAE paper 961160.
[21] Westbrook, C. K., Mizobuchi, Y., Poinsot, T. J., Smith, P. J., Warnatz, J. Compu- tational combustion. Proceedings of the Combustion Institute, 30:125–157, 2005.
[22] Edwards, T., Maurice, L. Surrogate mixtures to represent complex aviation and rocket fuels. Journal of Propulsion and Power, 17:461–466, 2001.
[23] Violi, A., Yan, S., Eddings, E., Sarofim, F., Granata, S., Faravelli, T., Ranzi, E. Expe- rimental formulation and kinetic model for JP-8 surrogate mixtures. Combustion Science and Technology, 174(11&12):399–417, 2002.
[24] Ranzi, E. A wide-range kinetic modeling study of oxidation and combustion of transportation fuels and surrogate mixtures. Energy & Fuels, 20:1024–1032, 2006.
[25] Pitz, W., Cernansky, N., Dryer, F., Egolfopoulos, F., Farrell, J., Friend, D., Pitsh, H. Development of an experimental database and chemical kinetic models for surrogate gasoline fuels. SAE paper 2007-01-0175.
[26] Farrell, J., Cernansky, N., Dryer, F., Law, C., Friend, D., Hergart, C., McDavid, R., Patel, A., Mueller, C., Pitsh, H. Development of an experimental database and kinetic models for surrogate diesel fuels. SAE Paper 2007-01-0201.
[27] Ogink, R. Computer modeling of HCCI combustion. Tesis Doctoral, Chalmers Uni- versity of Technology, 2004.
[28] Curran, H., Fisher, E., Glaude, P.-A., Marinov, N., Pitz, W., Westbrook, C., Layton, D., Flynn, P., Durrett, R., zur Loye, A., Akinyemi, O., Dryer, F. Detailed chemical kinetic modeling of diesel combustion with oxygenated fuels. SAE paper 2001-01- 0653.
[29] Kong, S.-C., Patel, A., Reitz, R. Development and application of chemistry-based CFD models for diesel PCCI engine simulation. EnProceedings of the conference on Thermo and fluid processes in diesel engines (THIESEL), 2004.
[30] Hasegawa, R., Sakata, I., Koyawa, T., Yanagihara, H. Numerical analysis of ignition control in HCCI engine. SAE paper 2003-01-1817.
[31] Noel, L., Maroteaux, F., Ahmed, A. Numerical study of HCCI combustion in diesel engines using reduced chemical kinetics of n-heptane with multidimensional CFD code. SAE paper 2004-01-1909.
[32] Aceves, S. M., Flowers, D. L. A detailed chemical kinetic analysis of low tempera- ture non-sooting diesel combustion. SAE Paper 2005-01-0923.
[33] Duret, P., Gatellier, B., Monteiro, L., Miche, M., Zima, P., Maroteaux, D., Guezet, J., Blundell, D., Spinnler, F., Zhao, H., Perotti, M., Araneo, L. Progress in diesel HCCI combustion within the european SPACE LIGHT project. SAE paper 2004-01-1904.
[34] Pires Da Cruz, A. Three-dimensional modeling of self-ignition in HCCI and con- ventional diesel engines. Combustion Science and Technology, 176:867–887, 2004.
[35] Maroteaux, F., Noel, L. Investigations on methods to control the rate of heat release of HCCI combustion in diesel engines by numerical simulation using reduced chemical kinetics of n-heptane with a multidimensional CFD code. EnProceedings of the conference on Thermo and fluid processes in diesel engines (THIESEL), 2004.
[36] Aroonsrisopon, T., Foster, D., Morikawa, T., Iida, M. Comparison of HCCI opera- ting ranges for combination of intake temperature, engine speed and fuel compo- sition. SAE paper 2002-01-1924.
[37] Aceves, S. M., Flowers, D., Martinez-Frias, J., Espinosa-Loza, F., Pitz, W. J., Dibble, R. Fuel and additive characterization for HCCI combustion. SAE paper 2003-01- 1814.
[38] Jeuland, N., Montagne, X., Duret, P. New HCCI/CAI combustion process deve- lopment:methodology for determination of relevant fuel parameters. Oil & Gas Science and Technology, 59:571–579, 2004.
[39] Jeuland, N., Montagne, X., Duret, P. Engine and fuel related issues of gasoline CAI (controlled auto-ignition) combustion. SAE paper 2003-01-1856.
[40] Kalghatgi, G., Risberg, P., Angstrom, H.-E. A method of defining ignition quality of fuels in HCCI engines. SAE paper 2003-01-1816.
[41] Ryan III, T., Matheaus, A. C. Fuel requirements for HCCI engine operation. SAE paper 2003-01-1813.
[42] Ryan III, T., Matheaus, A. C. Fuel requirements for HCCI engine operation. En Proceedings of the conference on Thermo and fluid processes in diesel engines (THIESEL), 2002.
[43] Kolaitis, D. I., Founti, M. A. On the assumption of using n-heptane as a surrogate fuel for the description of the cool flame oxidation of diesel oil. Proceedings of the Combustion Institute, 32:3197–3205, 2009.
Referencias [44] Dagaut, P. On the kinetics of hydrocarbons oxidation from natural gas to kerosene
and diesel fuel. Physical Chemistry Chemical Physics, 4:2079–2094, 2002.
[45] Zannis, T., Hountalas, D., Papagiannakis, R., Levendis, Y. Effect of fuel chemical structure and properties on diesel engine performance and pollutant emissions:
review of the results of four european research programs. SAE paper 2008-01- 0838.
[46] Mati, K., Ristori, A., Gaïl, S., Pengloan, G., Dagaut, P. The oxidation of a diesel fuel at 1-10 atm: experimental study in a JSR and detailed chemical kinetic modeling.
Proceedings of the Combustion Institute, 31:2939–2946, 2007.
[47] Edenhofer, R., Lucka, K., Köne, H. Low temperature oxidation of diesel-air mixtu- res at atmospheric pressure. Proceedings of the Combustion Institute, 31:2947–2954, 2007.
[48] Gustavsson, J., Golovitchev, V., Helmantel, A. 3-D modeling of conventional and HCCI combustion diesel engines. SAE paper 2004-01-2964.
[49] Bergman, M., Golovitchev, V. I. Modification of a diesel oil surrogate model for CFD simulation of conventional and HCCI combustion. SAE Paper 2008-01-2410.
[50] Natelson, R. H., Kurman, M. S., Cernansky, N. P., Miller, D. L. Experimental investigation of surrogates for jet and diesel fuels. Fuel, 87:2339–2342, 2008.
[51] Weber, J., Won, H., Peters, N. Experimental validation of a surrogate fuel for diesel.
SAE paper 2007-01-1842.
[52] Warnatz, J., Maas, U., Dibble, R.Combustion. Springer-Verlag, 2006.
[53] Griffiths, J., Scott, S. Thermokinetic interactions: fundamentals of spontaneous ignition and cool flames. Progress in Energy and Combustion Science, 13:161–197, 1987.
[54] Gray, B., Yang, C. On the unification of the thermal and chain theories of explosion limits. The Journal of Physical Chemistry, 69:2747–2750, 1965.
[55] Yang, C. Two-stage ignition and self-exited thermokinetic oscillation in hydrocar- bon oxidation. The Journal of Physical Chemistry, 78:3407–3413, 1969.
[56] Yang, C., Gray, B. On the slow oxidation of hydrocarbon and cool flames. The Journal of Physical Chemistry, 78:3395–3406, 1969.
[57] Pilling, M., editor. Comprehensive Chemical Kinetics (vol 35). Low-Temperature Com- bustion and Autoignition. Elsevier, 1997.
[58] Halstead, M., Prothero, A., Quinn, C. Modeling the ignition and cool-flame limits of acetaldehyde oxidation. Combustion and Flame, 20:211–221, 1972.
[59] Natarajan, B., Bracco, F. On multidimensional modeling of auto-ignition in spark- ignition engines. Combustion and Flame, 57:179–197, 1984.
[60] Kong, S.-C., Han, Z., Reitz, R. D. The development and application of a diesel ignition and combustion model for multidimensional engine simulation. SAE paper 950278.
[61] Sazhin, S., Sazhina, E., Heikal, M., Marooney, C., Mikhalovsky, S. The Shell autoig- nition model: a new mathematical formulation.Combustion and Flame, 117:529–540, 1999.
[62] Keck, J. C., Hu, H. Explosions of adiabatically compressed gasses in a constant volume bomb. EnTwenty-first symposium (International) on combustion, 1986.
[63] Westbrook, C. K., Dryer, F. L. Chemical kinetic modeling of hydrocarbon combus- tion. Progress in Energy and Combustion Science, 10:1–57, 1984.
[64] Levine, I. N. Fisicoquímica. Mc Graw Hill, 1996.
[65] Kee, R., Rupley, F., Miller, J., Coltrin, M., Grcar, J., Meeks, E., Moffat, H., Lutz, A., Dixon-Lewis, G., Smooke, M., Warnatz, J., Evans, G., Larson, R., Mitchell, R., Petzold, L., Reynolds, W., Caracotsios, M., Stewart, W., Glarborg, P., Wang, C., Adigun, O., Houf, W., Chou, C., Miller, S., Ho, P., Young, D. CHEMKIN Release 4.0, Reaction Design, Inc., San Diego, CA (2004).
[66] Battin-Leclerc, F. Detailed chemical kinetic models for the low-temperature com- bustion of hydrocarbons with application to gasoline and diesel fuel surrogates.
Progress in Energy and Combustion Science, 34:440–498, 2008.
[67] Griffiths, J., Barnard, J. Flame and combustion. Chapman & Hall, 1995.
[68] Westbrook, C. K. Chemical kinetic of hydrocarbons ignition in practical combus- tion systems. Proceedings of the Combustion Institute, 28:1563–1577, 2000.
[69] Faravelli, T., Gaffuri, P., Ranzi, E., Griffiths, J. Detailed thermokinetic modelling of alkane autoignition as a tool for the optimization of performance of internal combustion engines. Fuel, 77:147–155, 1998.
[70] Curran, H., Gaffuri, P., Pitz, W., Westbrook, C. A comprehensive modeling study of n-heptane oxidation. Combustion and Flame, 114:149–177, 1998.
[71] Ranzi, E., Dente, M., Goldaniga, A., Bozzano, G., Faravelli, T. Lumping procedu- res in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures. Progress in Energy and Combustion Science, 27:99–139, 2001.
[72] Tanaka, S., Ayala, F., Keck, J. C., Heywood, J. B. Two-stage ignition in HCCI com- bustion and HCCI control by fuels and additives. Combustion and Flame, 132:219–
239, 2003.
[73] Lewis, B., von Elbe, G. Combustion, flames and explosions of gases. Academic Press, 1990.
[74] Benson, S. W. Combustion: thermochemistry and kinetics of unsaturated hydro- carbons. International Journal of Chemical Kinetics, 28:665–672, 1996.
Referencias [75] Simmie, J. M. Detailed chemical kinetic models for the combustion of hydrocarbon
fuels. Progress in Energy and Combustion Science, 29:599–634, 2003.
[76] Dagaut, P., Reuillon, M., Cathonnet, M. Experimental study of the oxidation of n-heptane in a jet stirred reactor from low to high temperature and pressures up to 40 atm. Combustion and Flame, 101:132–140, 1995.
[77] Glaude, P., Battin-Leclerc, F., Fournet, R., Warth, V., Come, G., G.Scacchi. Cons- truction and simplification of a model for the oxidation of alkanes.Combustion and Flame, 122:451–462, 2000.
[78] Ranzi, E., Gaffuri, P., Faravelli, T., Dagaut, P. A wide-modeling study of n-heptane oxidation. Combustion and Flame, 103:91–106, 1995.
[79] Ranzi, E., Frassoldati, A., Granata, S., Faravelli, T. Wide-range kinetic modeling study of the pyrolisis, partial oxidation and combustion of heavy n-alkanes. In- dustrial & Engineering Chemistry Research, 44:5170–5183, 2005.
[80] Bikas, G., Peters, N. Kinetic modelling of n-decane combustion and autoignition.
Combustion and Flame, 126:1456–1475, 2001.
[81] Glaude, P., Warth, V., Fournet, R., Battin-Leclerc, F., Scacchi, G., Côme, G. Mode- ling of the oxidation of n-octane and n-decane using an automatic generation of mechanisms. International Journal of Chemical Kinetics, 30:949–959, 1998.
[82] Westbrook, C. K., Pitz, W. J., Herbinet, O., Curran, H. J., Silke, E. J. A comprehen- sive detailed chemical kinetic reaction mechanism for combustion of n-alkane hy- drocarbons from n-octane to n-hexadecane. Combustion and Flame, 156:181–199, 2009.
[83] Fournet, R., Battin-Leclerc, F., Glaude, P., Jude, B., V.Warth, Côme, G., Scacchi, G., Ristori, A., Pengloan, G., Cathonnet, M. The gas-phase oxidation of n-hexadecane.
International Journal of Chemical Kinetics, 33:574–586, 2001.
[84] Griffiths, J., Halford-Maw, P., Rose, D. Fundamental features of hydrocarbon auto- ignition in a rapid compression machine. Combustion and Flame, 95:291–306, 1993.
[85] Brezinsky, K. The high temperature oxidation of aromatic hydrocarbons. Progress in Energy and Combustion Science, 12:1–24, 1986.
[86] Mittal, G., Sung, C.-J. Autoignition of toluene and benzene at elevated pressures in a rapid compression machine. Combustion and Flame, 150:355–368, 2007.
[87] Roubaud, A., Minetti, R., Sochet, L. Oxidation and combustion of low alkyl ben- zenes at high pressure: comparative reactivity and auto-ignition. Combustion and Flame, 121:535–541, 2000.
[88] Davidson, D., Gauthier, G., Hanson, R. Shock tube measurementsof iso-octane/air and toluene/air at high pressure. Proceedings of the Combustion Institute, 30:1175–
1180, 2005.
[89] Sivaramakrishnan, R., Tranter, R., Brezinsky, K. A high pressure model for the oxidation of toluene. Proceedings of the Combustion Institute, 30:1165–1173, 2005.
[90] Bounaceur, R., Da Costa, I., Fournet, R., Billaud, F., Battin-Leclerc, F. Experimental and modeling study of the oxidation of toluene. International Journal of Chemical Kinetics, 37:25–49, 2005.
[91] Vasudevan, V., Davidson, D., Hanson, R. Shock tube measurements of toluene ignition times and OH concentration time histories. Proceedings of the Combustion Institute, 30:1155–1163, 2005.
[92] Emdee, J., Brezinsky, K., Glassman, I. A kinetic model for the oxidation of toluene near 1200 K. Journal of Physical Chemistry, 96:2151–2161, 1992.
[93] Djurisic, Z. M., Joshi, A. V., Wang, H. Detailed kinetic modeling of benzene and toluene combustion. EnProceedings of The Second Joint Meeting of the U.S. sections of the Combustion Institute, 2001.
[94] Zhong, X., Bozzelli, J. Thermochemical and kinetic analysis of the H, OH, HO2, O, and O2 reaction with cyclopentadienyl radical. Journal of Physical Chemistry, 102:3537–3.555, 1998.
[95] Pitz, W., Seiser, R., Bozzeli, J., Seshadri, K., Chen, C.-J., Costa, I. D., Fournet, R., Billaud, F., Battin-Leclerc, F., Westbrook, C. Chemical kinetic study of toluene oxidation. EnProceedings of the 29th International Symposium on Combustion, Sapporo, Japan, 2002.
[96] Dagaut, P., Pengloan, G., Ristori, A. Oxidation, ignition and combustion of to- luene: experimental and detailed chemical kinetic modeling. Physical Chemistry Chemical Physics, 4:1846–1854, 2002.
[97] Lemaire, O., Ribacour, M., Carlier, M., Minetti, R. The production of benzene in the low-temperature oxidation of cyclohexane, cyclohexene, and cyclohexa-1,3-diene.
Combustion and Flame, 127:1971–1980, 2001.
[98] Pitz, W., Naik, C., Mhaoldúin, T. N., Westbrook, C., Curran, H., Orme, J., Simmie, J. Modeling and experimental investigation of methylcyclohexane ignition in a rapid compression machine. Proceedings of the Combustion Institute, 31:267–275, 2007.
[99] Sirjean, B., Buda, F., Hakka, H., Glaude, P., Fournet, R., Warth, V., Battin-Leclerc, F., Ruiz-Lopez, M. The autoignition of cyclopentane and cyclohexane in a shock tube. Proceedings of the Combustion Institute, 31:277–284, 2007.
[100] Daley, S. M., Berkowitz, A. M., Oehlschlaeger, M. A. A shock tube study of cy- clopentane and cyclohexane ignition at elevated pressures. International Journal of Chemical Kinetics, 40:624–634, 2008.
[101] Granata, S., Faravelli, T., Ranzi, E. A wide range kinetic modeling study of the pyrolysis and combustion of naphtenes.Combustion and Flame, 132:533–544, 2003.
Referencias [102] Silke, E. J., Pitz, W. J., Westbrook, C. K., Ribaucour, M. Detailed chemical kinetic modeling of cyclohexane oxidation. Journal of Physical Chemistry Part A, 111:3761–
3775, 2007.
[103] Buda, F., Heyberger, B., Fournet, R., Glaude, P.-A., Warth, V., Battin-Leclerc, F.
Modeling of the gas-phase oxidation of cyclohexane.Energy & Fuels, 20:1450–1459, 2006.
[104] Curran, H., Gaffuri, P., Pitz, W., Westbrook, C. A comprehensive modeling study of iso-octane oxidation. Combustion and Flame, 129:253–280, 2002.
[105] Benson, S. W. Thermochemical Kinetics. John Wiley & Sons, Inc., 1968.
[106] Cavallotti, C., Rota, R., Faravelli, T., Ranzi, E. Ab initio evaluation of primary cyclo- hexane oxidation reaction rates. Proceedings of the Combustion Institute, 31:201–209, 2007.
[107] Klotz, S. D., Brezinsky, K., Glassman, I. Modeling the combustion of toluene- butane blends. Proceedings of the Combustion Institute, 27:337–344, 1998.
[108] Andrae, J., Johansson, D., Björn, P., Risberg, P. Co-oxidation in the auto-ignition of primary reference fuels and n-heptane/toluene blends. Combustion and Flame, 140:267–286, 2005.
[109] Naik, C. V., Pitz, W. J., Westbrook, C. K., Sjöberg, M., Dec, J. E., Orme, J., Curran, H. J., Simmie, J. M. Detailed chemical kinetic modeling of surrogate fuels for gasoline and application to an HCCI engine. SAE paper 2005-01-3741.
[110] Vanhofe, G., Petit, G., Minetti, R. Experimental study of the kinetic interactions in the low-temperature autoignition of hydrocarbon binary mixtures and a surrogate fuel. Combustion and Flame, 145:521–532, 2006.
[111] Petersen, E., Davidson, D., Hanson, R. Kinetics modeling of shock-induced igni- tion in low-dilution CH4/O2mixtures at high pressures and intermediate tempe- ratures. Combustion and Flame, 117:272–290, 1999.
[112] Davis, S. G., Mhadeshwar, A. B., Vlachos, D. G., Wang, H. A new approach to response surface development for detailed gas-phase and surface reaction kinetic model optimization. International Journal of Chemical Kinetics, 36:94–106, 2004.
[113] Zhao, Z., Li, J., Kazakov, A., Dryer, F. L. Temperature-dependent feature sensitivity analysis for combustion modeling.International Journal of Chemical Kinetics, 37:282–
295, 2005.
[114] Lu, T., Law, C. K. Strategies for mechanism reduction for large hydrocarbons:
n-heptane. Combustion and Flame, 154:153–163, 2008.
[115] Chinnick, S., Baulch, D., Ayscough, P. An expert system for hydrocarbon pyrolisis reactions. Chemometrics and Intelligent Laboratory Systems, 5:39–52, 1988.
[116] Ranzi, E., Faravelli, T., Gaffuri, P., Sogaro, A. Low-temperature combustion: auto- matic generation of primary oxidation reactions and lumping procedures. Com- bustion and Flame, 102:179–192, 1995.
[117] Herbinet, O., Pitz, W. J., Westbrook, C. K. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate.Combustion and Flame, 154:507–528, 2008.
[118] Najm, H., Lee, J., Valorani, M., Goussis, D., Frenklach, M. Adaptative chemical model reduction. Journal of physics:conference series, 16:101–106, 2005.
[119] Wei, J., Kuo, J. C. K. A lumping analysis in monomolecular reaction systems.
Industrial & Engineering Chemistry Fundamentals, 8:114–123, 1969.
[120] Frenklach, M. Computer modeling of infinite reaction sequences: a chemical lum- ping. Chemical Engineering Science, 40:1843–1849, 1985.
[121] Fournet, R., Warth, V., Glaude, P., Battin-Leclerc, F., Scacchi, G., Côme, G. Au- tomatic reduction of detailed mechanisms of combustion of alkanes by chemical lumping. International Journal of Chemical Kinetics, 32:36–51, 2000.
[122] Côme, G. Radical reaction mechanisms. Mathematical theory. The Journal of Physi- cal Chemistry, 81:2560–2563, 1977.
[123] Huang, H., Fairweather, M., Griffiths, J., Tomlin, A., Brad, R. A systematic lumping approach for the reduction of comprehensive kinetic models. Proceedings of the Combustion Institute, 30:1309–1316, 2005.
[124] Ahmed, S. S., Mauss, F., Moreac, G., Zeuch, T. A comprehensive and compact n-heptane oxidation model derived using chemical lumping. Physical Chemistry Chemical Physics, 9:1107–1126, 2007.
[125] Tomlin, A. S., Pilling, M. J., Turányi, T., Merkin, J. H., Bridley, J. Mechanism reduction for the oscillatory oxidation of hydrogen: sensitivity and quasy-steady- state analyses. Combustion and Flame, 91:107–130, 1992.
[126] Luche, J., Reuillon, M., Boettner, J.-C., Cathonnet, M. Reduction of large kine- tic mechanisms: application to kerosene/air combustion. Combustion Science and Technology, 176:1935–1963, 2004.
[127] Aceves, S. M., Martinez-Frias, J., Flowers, D., Smith, J. R., Dibble, R., Chen, J. A computer generated reduced iso-octane chemical kinetic mechanism applied to simulation of HCCI combustion. SAE paper 2002-02-2870.
[128] Maroteaux, F., Noel, L. Development of a reduced n-heptane oxidation mechanism for HCCI combustion modeling.Combustion and Flame, 146:246–267, 2006.
[129] Saylam, A., Ribacour, M., Pitz, W., Minetti, R. Reduction of large detailed chemi- cal kinetic mechanisms for autoignition using joint analyses of reaction rates and sensitivities. International Journal of Chemical Kinetics, 39:181–196, 2007.
[130] Peters, N., Rogg, B., editors. Lecture notes in physics: reduced kinetic mechanisms for applications in combustion systems. Springer-Verlag, 1993.
[131] Soyhan, H. S., Amnéus, P., Lovas, T., Nilsson, D., Maigaard, P., Mauss, F., Sorusbay, C. Automatic reduction of detailed chemical reaction mechanisms for autoignition under SI engine conditions. SAE 200-01-1895.
Referencias [132] Lovas, T., Mauss, F., Hasse, C., Peters, N. Modeling of HCCI combustion using
adaptative chemical kinetics. SAE paper 2002-01-0426.
[133] Lam, S., Goussis, D. Understanding complex chemical kinetics with computational singular perturbation. Proceedings of the Symposium (International) on Combustion, 22:931–941, 1988.
[134] Maas, U., Pope, S. B. Simplifying chemical kinetics:Intrinsic Low-Dimensional Manifolds in composition space. Combustion and Flame, 88:239–264, 1992.
[135] Nafe, J., Maas, U. Hierarchical generation of ILDMs of higher hydrocarbons. Com- bustion and Flame, 135:17–26, 2003.
[136] Lu, T., Law, C. K. A directed relation graph method for mechanism reduction.
Proceedings of the Combustion Institute, 30:1333–1341, 2005.
[137] Pepiot, P., Pitsch, H. Systematic redution of large chemical mechanisms. En 4th joint meeting of the U.S. sections of the Combustion Institute, Philadelphia, 2005.
[138] Lu, T., Law, C. K. On the aplicability of directed relation graphs to the reduction of reaction mechanisms. Combustion and Flame, 146:472–483, 2006.
[139] Pepiot-Desjardins, P., Pisch, H. An efficient error-propagation-based reduction method for large chemical kinetic mechanisms. Combustion and Flame, 154:67–81, 2008.
[140] Edwards, K., Edgar, T., Manousiouthakis, V. Kinetic model reduction using genetic algorithms. Computers and Chemical Engineering, 22:239–246, 1998.
[141] Edwards, K., Edgar, T., Manousiouthakis, V. Reaction mechanism simplification using mixed-integer nonlinear programming. Computers and Chemical Engineering, 24:67–79, 2000.
[142] Petzold, L., Zhu, W. Model reduction for chemical kinetics: an optimization ap- proach. AIChE Journal, 45:869–886, 1999.
[143] Bhattacharjee, B., Schwer, D. A., Barton, P. I., Green Jr., W. H. Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms.Combustion and Flame, 135:191–208, 2003.
[144] Elliot, L., Ingham, D. B., Kyne, A. G., Mera, N. S., Pourkashanian, M., Whittaker, S. Reaction mechanism reduction and optimisation for modelling aviation fuel oxidation using standard and hybrid genetic algorithms. Computers and Chemical Engineering, 2006:889–900, 30.