This content is not included in
your SAE MOBILUS subscription, or you are not logged in.
Reduction of Reaction Mechanism for n-Tridecane Based on Knowledge of Detailed Reaction Paths
Technical Paper
2016-01-2238
ISSN: 0148-7191, e-ISSN: 2688-3627
Annotation ability available
Sector:
Language:
English
Abstract
n-Tridecane is a low boiling point component of gas oil, and has been used as a single-component fuel for diesel spray and combustion experiments. However, no reduced chemical kinetic mechanisms for n-tridecane have been presented for three-dimensional modeling. A detailed mechanism developed by KUCRS (Knowledge-basing Utilities for Complex Reaction Systems), contains 1493 chemical species and 3641 reactions. Reaction paths during ignition process for n-tridecane in air computed using the detailed mechanism, were analyzed with the equivalence ratio of 0.75 and the initial temperatures of 650 K, 850 K, and 1100 K, which are located in the cool-flame dominant, negative-temperature coefficient, and blue-flame dominant regions, respectively. Based on knowledge derived from the reaction path analysis, a skeletal mechanism containing 49 species and 85 reactions, was developed and validated for representing ignition characteristics over a wide range of initial conditions computed using the detailed mechanism. The skeletal mechanism includes C3H7, C2H5, and CH3 as representative fragmental alkyl radicals, C7H14, C3H6, and C2H4 as representative alkenes, and C3H7CHO and CH2O as representative aldehydes. C3-series reactions beginning with O2 addition to C3H7, were expressed using parameters for C6-series reactions, which took similar reactions for larger alkyl radicals into consideration. Ignition delay times and low-temperature oxidation induction times with the initial temperatures between 600 K and 1200 K using the skeletal mechanism, and their dependences on pressure and equivalence ratio in lean and stoichiometric cases agree well with those using the detailed mechanism. However, the agreement becomes worse as equivalence ratio is increased in rich cases.
Recommended Content
Authors
Citation
Kuwahara, K., Matsuo, T., Sakai, Y., Kobashi, Y. et al., "Reduction of Reaction Mechanism for n-Tridecane Based on Knowledge of Detailed Reaction Paths," SAE Technical Paper 2016-01-2238, 2016, https://doi.org/10.4271/2016-01-2238.Also In
References
- Puduppakkam , K. , Naik , C. , Wang , C. , and Meeks , E. Validation Studies of a Detailed Kinetics Mechanism for Diesel and Gasoline Surrogate Fuels SAE Technical Paper 2010-01-0545 2010 10.4271/2010-01-0545
- Lu , T. F. , Law , C. K. A Directed Relation Graph Method for Mechanism Reduction Proc. Combust. Inst. 30 1 1333 1341 2005 10.1016/j.proci.2004.08.145
- Pepiot-Desjardins , P. , Pitsch , H. An Efficient Error-Propagation-Based Reduction Method for Large Chemical Kinetic Mechanisms Combust. Flame 154 1-2 67 81 2008 10.1016/j.combustflame.2007.10.020
- Pepiot-Desjardins , Pitsch, H. An Automatic Chemical Lumping Method for the Reduction of Large Chemical Kinetic Mechanisms Combust. Theor. Model. 12 6 1089 1108 2008 10.1080/13647830802245177
- Lu , T. F. , Law C. K Strategies for Mechanism Reduction for Large Hydrocarbons: n -Heptane Combust. Flame 154 1-2 153 163 2008 10.1016/j.combustflame.2007.11.013
- Shi , Y. , Ge , H.-W. , Brakora , J. L. , Reitz , R. D. Automatic Chemistry Mechanism Reduction of Hydrocarbon Fuels for HCCI Engines Based on DRGEP and PCA Methods with Error Control Energy Fuels 24 3 1646 1654 2010 10.1021/ef901469p
- Curran , H. J. , Gaffuri , P. , Pitz , W. J. , Westbrook , C. K A Comprehensive Modeling Study of n-Heptane Oxidation Combust. Flame 114 1-2 149 177 1998 10.1016/S0010-2180(97)00282-4
- Curran , H. J. , Gaffuri , P. , Pitz , W. J. , Westbrook , C. K. A Comprehensive Modeling Study of iso-Octane Oxidation Combust. Flame 129 3 253 280 2002 10.1016/S0010-2180(01)00373-X
- Wang , H. , Yao , M. , Reitz , R. D. Development of a Reduced Primary Reference Fuel Mechanism for Internal Combustion Engine Combustion Simulations Energy Fuels 27 12 7843 7853 2013 10.1021/ef401992e
- Tsurushima , T A new skeletal PRF kinetic model for HCCI combustion Proc. Combust. Inst. 32 2 2835 2841 2009 10.1016/j.proci.2008.06.018
- Walsh , G. and Cheng , W. Effects of Highly-Heated Fuel on Diesel Combustion SAE Technical Paper 850088 1985 10.4271/850088
- Verhoeven , D. , Vanhemelryck , J. , and Baritaud , T. Macroscopic and Ignition Characteristics of High-Pressure Sprays of Single-Component Fuels SAE Technical Paper 981069 1998 10.4271/981069
- Yamashita , H. , Suzuki , T. , Matsuoka , H. , Mashida , M. et al. Research of the DI Diesel Spray Characteristics at High Temperature and High Pressure Ambient SAE Technical Paper 2007-01-0665 2007 10.4271/2007-01-0665
- Knox , B. , Genzale , C. , Pickett , L. , Garcia-Oliver , J. et al. Combustion Recession after End of Injection in Diesel Sprays SAE Int. J. Engines 8 2 679 695 2015 10.4271/2015-01-0797
- Skeen , S. , Manin , J. , and Pickett , L. Visualization of Ignition Processes in High-Pressure Sprays with Multiple Injections of n-Dodecane SAE Int. J. Engines 8 2 696 715 2015 10.4271/2015-01-0799
- Vasu , S. S. , Davidson , D. F. , Hong , Z. , Vasudevan , V. , Hanson , R. K. n -Dodecane Oxidation at High-Pressures: Measure ments of Ignition Delay Times and OH Concentration Time-Histories Proc. Combust. Inst. 32 1 173 180 2009 10.1016/j.proci.2008.05.006
- You , X. , Egolfopoulos F. N. , Wang , H. Detailed and Simplified Kinetic Models of n-Dodecane Oxidation: The Role of Fuel Cracking in Aliphatic Hydrocarbon Combustion Proc. Combust. Inst. 32 1 403 410 2009 10.1016/j.proci.2008.06.041
- Narayanaswamy , K. , Pepiot , P. , Pitsch , H. A Chemical Mechanism for Low to High Temperature Oxidation of n -Dodecane as a Component of Transportation Fuel Surrogates Combust. Flame 161 4 866 884 2014 10.1016/j.combustflame.2013.10.012
- Luo , Z. , Som , S. , Sarathy , S. M. , Plomer , M. , Pitz , W. J. et al. Development and Validation of an n -Dodecane Skeletal Mecahnism for Spray Combustion Applications Combust. Theor. Model. 18 2 187 203 2014 10.1080/13647830.2013.872807
- Jiro , S. , Kobayashi , M. , Iwashita , S. , and Fujimoto , H. Modeling of Diesel Spray Impingement on a Flat Wall SAE Technical Paper 941894 1994 10.4271/941894
- Senda , J. , Kanda , T. , Kobayashi , M. , and Fujimoto , H. Quantitative Analysis of Fuel Vapor Concentration in Diesel Spray by Exciplex Fluorescence Method SAE Technical Paper 970796 1997 10.4271/970796
- Senda , J. , Ikeda , M. , Yamamoto , M. , Kawaguchi , B. et al. Low Emission Diesel Combustion System by Use of Reformulated Fuel with Liquefied CO2 and n-Tridecane SAE Technical Paper 1999-01-1136 1999 10.4271/1999-01-1136
- Kojima , H. , Takahashi , E. , Tsujimura , T. , Furutani , H. et al. Acetone PLIF Measurements of Temperature and Concentration Distributions in a High-Temperature and High-Pressure Spray SAE Technical Paper 2015-01-1840 2015 10.4271/2015-01-1840
- Miyata , S. , Kuwahara , Y. , Kobashi , Y. , Kuwahara , K. et al. Artificial Control of Diesel Spray and Flame Feature by using Dual-component Fuel SAE Technical Paper 2015-01-1916 2015 10.4271/2015-01-1916
- Miyoshi , A. KUCRS - Detailed Kinetic Mechanism Generator for Versatile Fuel Components and Mixtures Proc. COMODIA 2012 116 121 2012
- http://www.frad.t.u-tokyo.ac.jp/~miyoshi/KUCRS/index.htm.en
- Blumenthal , R. , Fieweger , K. , Adomeit , G. Self-ignition of S.I. Engine Model Fuels: A Shock Tube Investigation at High Pressure Combust. Flame 109 4 599 619 1997 10.1016/S0010-2180(97)00049-7
- Kuwahara , K. , Hiramura , Y. , Ohmura , S. , Furutani , M. et al. Chemical Kinetics Study on Effect of Pressure and Fuel, O2 and N2 Molar Concentrations on Hydrocarbon Ignition Process SAE Technical Paper 2012-01-1113 2012 10.4271/2012-01-1113
- Kuwahara , K. , Tada , T. , Tanaka , H. , Sako , T. et al. Chemical Kinetics Study on Small-Alkane Ignition Process to Design Optimum Methane-Based Blend for HCCI SAE Int. J. Fuels Lubr. 7 2 390 411 2014 10.4271/2014-01-1281
- Ando , H. , Kuwahara , K. Evaluation of Reaction Scheme at High Temperature Condition Bypassing Low-Temperature Reaction C Int. J. Engine Res. 10 6 389 398 2009
- Ritter , E. R. , Bozzelli , J. W. THERM: Thermodynamic Property Estimation for Gas Phase Radicals and Molecules Int. J. Chem. Kinet. 23 9 767 778 1991 10.1002/kin.550230903
- Sokolik , A. S. Self-Ignition, "Flame and Detonation in Gases,V Israel Program for Scientific Translations Jerusalem 1963