Detailed Kinetic Mechanism of CNG Combustion in an IC Engine
Affiliation(s)
Department of Chemical Engineering, University of Engineering and Technology, Lahore 5457, Pakistan.
Department of Chemical Engineering, University of Engineering and Technology, Lahore 5457, Pakistan.
ABSTRACT
In this study, the four kinetic reaction mechanisms were developed to simulate the formation of pollutant species in CNG fired IC engine. The reactions were generated using EXGAS and coupled with Leed’s NOx reactions to develop four kinetic mechanisms. These reaction mechanisms described the combustion of natural gas at low (below 800 K) to high (above 1000 K) temperature in combustion chamber. The simulation studies predicted that the maximum cylinder pressure was achieved up to 18.0 atm & 40.0 atm under fuel leaner conditions (φ ≈0.6) and fuel rich conditions (φ=1.13 to 1.3) respectively. The simulation based data was compared with the experimental data (when engine was operated at 3000 rpm, φ=1.0, Pinlet=0.67 atm). For fuel rich conditions, high concentrations of CO were observed while NOx levels were lowered while the fuel leaner mixture produced the lower CO emissions and moderate levels of NOx emissions. The NOx and CO profiles depicted that Mechanism-I, Mechanism-II and Mechanism III seemed to be inappropriate for predicting the emissions in due to CNG combustion IC engine. The molded data for Mechanism-IV exhibited closer agreement with experimental measurements. The rate of production analysis identified the important reactions in each mechanism which were contributing in the formation of emission concentrations of pollutant species. Although each proposed mechanism illustrated some discrepancies among the profiles, Mechanism-IV (consisting of 208 reactions and 78 species) showed good agreement with experimental data for pressure, temperature and pollutant species profiles.
In this study, the four kinetic reaction mechanisms were developed to simulate the formation of pollutant species in CNG fired IC engine. The reactions were generated using EXGAS and coupled with Leed’s NOx reactions to develop four kinetic mechanisms. These reaction mechanisms described the combustion of natural gas at low (below 800 K) to high (above 1000 K) temperature in combustion chamber. The simulation studies predicted that the maximum cylinder pressure was achieved up to 18.0 atm & 40.0 atm under fuel leaner conditions (φ ≈0.6) and fuel rich conditions (φ=1.13 to 1.3) respectively. The simulation based data was compared with the experimental data (when engine was operated at 3000 rpm, φ=1.0, Pinlet=0.67 atm). For fuel rich conditions, high concentrations of CO were observed while NOx levels were lowered while the fuel leaner mixture produced the lower CO emissions and moderate levels of NOx emissions. The NOx and CO profiles depicted that Mechanism-I, Mechanism-II and Mechanism III seemed to be inappropriate for predicting the emissions in due to CNG combustion IC engine. The molded data for Mechanism-IV exhibited closer agreement with experimental measurements. The rate of production analysis identified the important reactions in each mechanism which were contributing in the formation of emission concentrations of pollutant species. Although each proposed mechanism illustrated some discrepancies among the profiles, Mechanism-IV (consisting of 208 reactions and 78 species) showed good agreement with experimental data for pressure, temperature and pollutant species profiles.
Cite this paper
nullM. Mansha, J. Hassan, A. Saleemi and B. Ghauri, "Detailed Kinetic Mechanism of CNG Combustion in an IC Engine," Advances in Chemical Engineering and Science, Vol. 1 No. 3, 2011, pp. 102-117. doi: 10.4236/aces.2011.13017.
nullM. Mansha, J. Hassan, A. Saleemi and B. Ghauri, "Detailed Kinetic Mechanism of CNG Combustion in an IC Engine," Advances in Chemical Engineering and Science, Vol. 1 No. 3, 2011, pp. 102-117. doi: 10.4236/aces.2011.13017.
References
[1] J. B. Heywood, “Internal Combustion Engines Funda-mentals,” McGraw-Hill, Science/Engineering/Math, New York, 1988. [2] Q. P. Zheng, H. M. Zhang and D. F. Zhang, “A Compu-tational Study of Combustion in Compression Ignition Natural Gas Engine with Separated Chamber,” Fuel, Vol. 84, No. 12-13, 2005, pp. 1515-1523. [3] M. U. Aslam, H. H. Masjuki, M. A. Kalam, H. Abdesse-lam, T. M. I. Mahlia and M. A. Amalina, “An Experi-mental Investigation of Cng as an Alternative Fuel for a Retrofitted Gasoline Vehicle Fuel,” Vol. 85, No. 5-6, 2006, pp. 717-724. [4] S. Shiga, S. Ozone, H. T. C. Machacon, T. Karasawa, H. Nakamura, T. Ueda, N. Jingu, Z. Huang, M. Tsue and M. Kono, “A Study of the Combustion and Emission Char-acteristics of Compressed-Natural-Gas Direct-Injection Stratified Combustion Using a Rapid-Compression-Ma-chine,” Combustion and Flame, Vol. 129, No. 1-2, 2002, pp. 1-10. [5] D. Zhang and S. H. Frankel, “A Numerical Study of Natural Gas Combustion in a Lean Burn Engine,” Fuel, Vol. 77, No. 12, 1998, pp. 1339-1347. [6] J. Kusaka, T. Okamoto, Y. Daisho, R. Kihara and T. Saito, “Combustion and Exhaust Gas Emission Charac-teristics of a Diesel Engine Dual- Fueled with Natural Gas,” JSAE Review, Vol. 21, No. 4, 2000, pp. 489-496. [7] T. Ando, Y. Isobe, D. Sunohara, Y. Daisho and J. Kusaka, “Homogeneous Charge Compression Ignition and Com-bustion Characteristics of Natural Gas Mixtures: The Visualization and Analysis of Combustion,” JSAE Review, Vol. 24, No. 1, 2003, pp. 33-40. [8] C. K. Westbrook, “Applying Chemical Kinetics to Natu-ral Gas Combustion Problems,” Report No. PB-86- 168770/XAB, Lawrence Livermore National Laboratory, Livermore, 1985. [9] P. Glarborg, J. A. Miller and R. J. Kee, “Kinetic Model-ling and Sensitivity Analysis of Nitrogen Oxide Forma-tion in Well Stirred Reactors,” Combustion and Flame, Vol. 65, No. 2, 1986, pp. 177-202. [10] J. A. Miller and C. T. Bow man, “Mechanism and Mod-eling of Nitrogen Chemistry in Combustion,” Progress in Energy and Combustion Sciences, Vol. 15, No. 4, 1989, pp. 287-338. [11] A. A. Konnov, “Detailed Reaction Mechanism for Small Hydrocarbons Combustion,” Release 0.5, 2000. http://homepages.vub.ac.be/~akonnov/ [12] K. J. Hughes, T. Tur′anyi, A. R. Clague and M. J. Pilling, “Development and Testing of a Comprehensive Chemical Mechanism for the Oxidation of Methane,” International Journal of Chemical Kinetics, Vol. 33, No. 9, 2001, pp. 513-538. [13] G. P. Smith, et al., Grimesh 3.0, http://www.me.berkeley.edu/gri_mech [14] C. K. Westbrook and F. L. Dryer, “Simplified Reaction Mechanisms for the Oxidation of hydrocarbon fuels in flames,” Combustion Sciences and Technologies, Vol. 27, No. 1-2, 1981, pp. 31-43. [15] J. Duterque, B. Roland and T. Helene, “Study of Quasi-Global Schemes for Hydrocarbon Combustion,” Combustion Science and Technology, Vol. 26, No. 1-2, 1981, pp. 1-15. [16] N. N. Peters, “Numerical and Asymptotic Analysis of Systematically Reduced Reaction Schemes for Hydro-carbon Flames: Numerical Simulation of Combustion Phenomena,” In: R. Glowinski, B. Larrouturou and R. Temam, Eds., Lecture Notes in Physics, Proceedings of the Symposium Held at INRIA Sophia-Antipolis, France May 21-24, 1985. Vol. 241, pp. 90-109. [17] D. J. Hautmann, F. L. Dryer, K. P. Schug and I. Glass-man, “A Multiple-Step Overall Kinetic Mechanism for the Oxidation of Hydrocarbons,” Combustion Sciences and Technologies, Vol. 25, No. 5-6, 1981, pp. 219-235. [18] W. P. Jones and R. P. Lindstedt, “Global Reaction Schemes for Hydrocarbon Combustion, Global Reaction Schemes for Hydrocarbon Combustion,” Combustion and Flame, Vol. 73, No. 3, 1988, pp. 233-249. [19] R. B. Edelman and O. F. Fortune, “A Quasi-Global Chemical Kinetic Model for the Finite Rate Combustion of Hydrocarbon Fuels with Application to Turbulent Burning and Mixing in Hypersonic Engines and Noz-zles,” American Institute of Aeronautics and Astronautics, 1969, pp. 69-86. [20] R. B. Edelman and P. T. Harsha, “Laminar and turbulent Gas Dynamics in Combustors—Current Status,” Pro-gress in Energy and Combustion Sciences, Vol. 4, No. 1, 1978, pp. 1-62. [21] C. Muller, V. Michel, G. Scacchi and G M. J. C?ome, “THERGAS: A Computer Program for the Evaluation of Thermochemical Data of Molecules and Free Radicals In the Gas Phase,” Journal de Chemie Physique, Vol. 92, No. 5, 1995, pp. 1154-1178. [22] P. A. Glaude, F. Batttin-Leclerc, R. Fournet, V. Warth and G. M. Come, “Construction and Simplification of a Model for the Oxidation of Alkanes,” Combustion and Flame, Vol. 122, No. 4, 2000, pp. 451-462. [23] B. F. Leclerc, R. Bounaceur, G. M. C?ome, R. Fournet, P. A. Glaude, G. Scacchi and V. Warth, “EXGAS User’s Guide,” Nancy, France, 2004. [24] G. M. C?ome, V. Warth, P. A. Glaude, R. Fournet, F. Battin-Leclerc, G. Scacchi, “Computer Aided Design of Gas-Phase Oxidation Mechanisms: Application to the Modelling of Normal Heptane and Iso-Octane Oxida-tion,” Proceedings of the 26th International Symposium on Combustion, The Combustion Institute, Pittsburgh, 1996, p. 755. [25] P. A. Glaude, V. Warth, R. Fournet, F. Battin-Leclerc, G. M. C?ome and G. Scacchi, Bull Soc Chim Belg, Vol. 106, No. 6, 1997, p. 343. [26] P. A. Glaude, V. Warth, R. Fournet, F. Battin-Leclerc, G. Scacchi and G. M. C?ome, “Modeling of the Oxidation of n-octane and n-decane Using an Automatic Generation Of Mechanisms,” International Journal of Chemical Ki-netics, Vol. 30, No. 12, 1998, pp. 949-959. doi:10.1002/(SICI)1097-4601(1998)30:12<949::AID-KIN10>3.0.CO;2-G [27] M. Mansha, A. R. Saleemi and M. Badar Ghauri, “Ki-netic Models of Natural Gas Combustion in an Internal Combustion Engine,” Journal of Natural Gas Chemistry, Vol. 19, No. 1, 2010, pp. 6-14. [28] M. Mansha, A. R. Saleemi, M. Ghauri Badar and N. Ramzan, “Development and Testing of a Detailed Kinet-ics Mechanism of Natural Gas Combustion in IC En-gine,” Journal of Natural Gas Chemistry, Vol. 19, No. 2, 2010, pp. 97-106. doi:10.1016/S1003-9953(09)60039-6 [29] Reaction Design, Theory Manual, Chemkin 4.1.1 Soft-ware, (2004). [30] F. EI-Mahallawy and S. EI-Din Habik, “Fundamentals and Technology of Combustion,” Elsevier Science Ltd, UK, 2002. [31] R. Ennetta, M. Hamdi and R. Said, “Comparison of Dif-ferent Chemical Kinetic Mechanisms of Methane Com-bustion in an Internal Combustion Engine Configuration, Thermal Science, Vol. 12, No. 1, 2008, pp. 43-51. doi:10.2298/TSCI0801043E [32] L. Cao, H. Zhao and X. Jiang, “Analysis of Controlled Auto-Ignition/HCCI Combustion in a Direct Injection Gasoline Engine with Single and Split Fuel Injections,” Combustion Science and Technology, Vol. 180, No. 1, 2008, pp. 176-205. [33] N. M. I. N.Ibrahim, R. A. Bakar, A. R. Ismail and I. Ali, “Analysis of Engine Speed Effect on Temperature and Pressure of Engine Based on Experiment and Computa-tional Simulation,” Journal of Applied Sciences Research, Vol. 4, No. 1, 2008, pp. 76-83. [34] Y. Bakhshan and S. Abdullah, “Study of CNG Combus-tion under Internal Combustion Engine Conditions, Part II Using Multi dimensional Modeling,” Algerian Journal of Applied Fluid Mechanics, Vol. 1, No. 1, 2008, pp. 10-18. [35] S. Abdullah, W. H. Kurniawan and A. Shamsudeen, “Numerical Analysis of the Combustion Process in a Compressed Natural Gas Direct Injection Engine,” Alge-rian Journal of Applied Fluid Mechanics, Vol. 1, No. 2, 2008, pp. 65-86.
[1] J. B. Heywood, “Internal Combustion Engines Funda-mentals,” McGraw-Hill, Science/Engineering/Math, New York, 1988. [2] Q. P. Zheng, H. M. Zhang and D. F. Zhang, “A Compu-tational Study of Combustion in Compression Ignition Natural Gas Engine with Separated Chamber,” Fuel, Vol. 84, No. 12-13, 2005, pp. 1515-1523. [3] M. U. Aslam, H. H. Masjuki, M. A. Kalam, H. Abdesse-lam, T. M. I. Mahlia and M. A. Amalina, “An Experi-mental Investigation of Cng as an Alternative Fuel for a Retrofitted Gasoline Vehicle Fuel,” Vol. 85, No. 5-6, 2006, pp. 717-724. [4] S. Shiga, S. Ozone, H. T. C. Machacon, T. Karasawa, H. Nakamura, T. Ueda, N. Jingu, Z. Huang, M. Tsue and M. Kono, “A Study of the Combustion and Emission Char-acteristics of Compressed-Natural-Gas Direct-Injection Stratified Combustion Using a Rapid-Compression-Ma-chine,” Combustion and Flame, Vol. 129, No. 1-2, 2002, pp. 1-10. [5] D. Zhang and S. H. Frankel, “A Numerical Study of Natural Gas Combustion in a Lean Burn Engine,” Fuel, Vol. 77, No. 12, 1998, pp. 1339-1347. [6] J. Kusaka, T. Okamoto, Y. Daisho, R. Kihara and T. Saito, “Combustion and Exhaust Gas Emission Charac-teristics of a Diesel Engine Dual- Fueled with Natural Gas,” JSAE Review, Vol. 21, No. 4, 2000, pp. 489-496. [7] T. Ando, Y. Isobe, D. Sunohara, Y. Daisho and J. Kusaka, “Homogeneous Charge Compression Ignition and Com-bustion Characteristics of Natural Gas Mixtures: The Visualization and Analysis of Combustion,” JSAE Review, Vol. 24, No. 1, 2003, pp. 33-40. [8] C. K. Westbrook, “Applying Chemical Kinetics to Natu-ral Gas Combustion Problems,” Report No. PB-86- 168770/XAB, Lawrence Livermore National Laboratory, Livermore, 1985. [9] P. Glarborg, J. A. Miller and R. J. Kee, “Kinetic Model-ling and Sensitivity Analysis of Nitrogen Oxide Forma-tion in Well Stirred Reactors,” Combustion and Flame, Vol. 65, No. 2, 1986, pp. 177-202. [10] J. A. Miller and C. T. Bow man, “Mechanism and Mod-eling of Nitrogen Chemistry in Combustion,” Progress in Energy and Combustion Sciences, Vol. 15, No. 4, 1989, pp. 287-338. [11] A. A. Konnov, “Detailed Reaction Mechanism for Small Hydrocarbons Combustion,” Release 0.5, 2000. http://homepages.vub.ac.be/~akonnov/ [12] K. J. Hughes, T. Tur′anyi, A. R. Clague and M. J. Pilling, “Development and Testing of a Comprehensive Chemical Mechanism for the Oxidation of Methane,” International Journal of Chemical Kinetics, Vol. 33, No. 9, 2001, pp. 513-538. [13] G. P. Smith, et al., Grimesh 3.0, http://www.me.berkeley.edu/gri_mech [14] C. K. Westbrook and F. L. Dryer, “Simplified Reaction Mechanisms for the Oxidation of hydrocarbon fuels in flames,” Combustion Sciences and Technologies, Vol. 27, No. 1-2, 1981, pp. 31-43. [15] J. Duterque, B. Roland and T. Helene, “Study of Quasi-Global Schemes for Hydrocarbon Combustion,” Combustion Science and Technology, Vol. 26, No. 1-2, 1981, pp. 1-15. [16] N. N. Peters, “Numerical and Asymptotic Analysis of Systematically Reduced Reaction Schemes for Hydro-carbon Flames: Numerical Simulation of Combustion Phenomena,” In: R. Glowinski, B. Larrouturou and R. Temam, Eds., Lecture Notes in Physics, Proceedings of the Symposium Held at INRIA Sophia-Antipolis, France May 21-24, 1985. Vol. 241, pp. 90-109. [17] D. J. Hautmann, F. L. Dryer, K. P. Schug and I. Glass-man, “A Multiple-Step Overall Kinetic Mechanism for the Oxidation of Hydrocarbons,” Combustion Sciences and Technologies, Vol. 25, No. 5-6, 1981, pp. 219-235. [18] W. P. Jones and R. P. Lindstedt, “Global Reaction Schemes for Hydrocarbon Combustion, Global Reaction Schemes for Hydrocarbon Combustion,” Combustion and Flame, Vol. 73, No. 3, 1988, pp. 233-249. [19] R. B. Edelman and O. F. Fortune, “A Quasi-Global Chemical Kinetic Model for the Finite Rate Combustion of Hydrocarbon Fuels with Application to Turbulent Burning and Mixing in Hypersonic Engines and Noz-zles,” American Institute of Aeronautics and Astronautics, 1969, pp. 69-86. [20] R. B. Edelman and P. T. Harsha, “Laminar and turbulent Gas Dynamics in Combustors—Current Status,” Pro-gress in Energy and Combustion Sciences, Vol. 4, No. 1, 1978, pp. 1-62. [21] C. Muller, V. Michel, G. Scacchi and G M. J. C?ome, “THERGAS: A Computer Program for the Evaluation of Thermochemical Data of Molecules and Free Radicals In the Gas Phase,” Journal de Chemie Physique, Vol. 92, No. 5, 1995, pp. 1154-1178. [22] P. A. Glaude, F. Batttin-Leclerc, R. Fournet, V. Warth and G. M. Come, “Construction and Simplification of a Model for the Oxidation of Alkanes,” Combustion and Flame, Vol. 122, No. 4, 2000, pp. 451-462. [23] B. F. Leclerc, R. Bounaceur, G. M. C?ome, R. Fournet, P. A. Glaude, G. Scacchi and V. Warth, “EXGAS User’s Guide,” Nancy, France, 2004. [24] G. M. C?ome, V. Warth, P. A. Glaude, R. Fournet, F. Battin-Leclerc, G. Scacchi, “Computer Aided Design of Gas-Phase Oxidation Mechanisms: Application to the Modelling of Normal Heptane and Iso-Octane Oxida-tion,” Proceedings of the 26th International Symposium on Combustion, The Combustion Institute, Pittsburgh, 1996, p. 755. [25] P. A. Glaude, V. Warth, R. Fournet, F. Battin-Leclerc, G. M. C?ome and G. Scacchi, Bull Soc Chim Belg, Vol. 106, No. 6, 1997, p. 343. [26] P. A. Glaude, V. Warth, R. Fournet, F. Battin-Leclerc, G. Scacchi and G. M. C?ome, “Modeling of the Oxidation of n-octane and n-decane Using an Automatic Generation Of Mechanisms,” International Journal of Chemical Ki-netics, Vol. 30, No. 12, 1998, pp. 949-959. doi:10.1002/(SICI)1097-4601(1998)30:12<949::AID-KIN10>3.0.CO;2-G [27] M. Mansha, A. R. Saleemi and M. Badar Ghauri, “Ki-netic Models of Natural Gas Combustion in an Internal Combustion Engine,” Journal of Natural Gas Chemistry, Vol. 19, No. 1, 2010, pp. 6-14. [28] M. Mansha, A. R. Saleemi, M. Ghauri Badar and N. Ramzan, “Development and Testing of a Detailed Kinet-ics Mechanism of Natural Gas Combustion in IC En-gine,” Journal of Natural Gas Chemistry, Vol. 19, No. 2, 2010, pp. 97-106. doi:10.1016/S1003-9953(09)60039-6 [29] Reaction Design, Theory Manual, Chemkin 4.1.1 Soft-ware, (2004). [30] F. EI-Mahallawy and S. EI-Din Habik, “Fundamentals and Technology of Combustion,” Elsevier Science Ltd, UK, 2002. [31] R. Ennetta, M. Hamdi and R. Said, “Comparison of Dif-ferent Chemical Kinetic Mechanisms of Methane Com-bustion in an Internal Combustion Engine Configuration, Thermal Science, Vol. 12, No. 1, 2008, pp. 43-51. doi:10.2298/TSCI0801043E [32] L. Cao, H. Zhao and X. Jiang, “Analysis of Controlled Auto-Ignition/HCCI Combustion in a Direct Injection Gasoline Engine with Single and Split Fuel Injections,” Combustion Science and Technology, Vol. 180, No. 1, 2008, pp. 176-205. [33] N. M. I. N.Ibrahim, R. A. Bakar, A. R. Ismail and I. Ali, “Analysis of Engine Speed Effect on Temperature and Pressure of Engine Based on Experiment and Computa-tional Simulation,” Journal of Applied Sciences Research, Vol. 4, No. 1, 2008, pp. 76-83. [34] Y. Bakhshan and S. Abdullah, “Study of CNG Combus-tion under Internal Combustion Engine Conditions, Part II Using Multi dimensional Modeling,” Algerian Journal of Applied Fluid Mechanics, Vol. 1, No. 1, 2008, pp. 10-18. [35] S. Abdullah, W. H. Kurniawan and A. Shamsudeen, “Numerical Analysis of the Combustion Process in a Compressed Natural Gas Direct Injection Engine,” Alge-rian Journal of Applied Fluid Mechanics, Vol. 1, No. 2, 2008, pp. 65-86.