An algorithm for the adaptive run-time reduction of chemical mechanisms during HCCI simulation

Fuel

Volumn 140, Issue , 2015, Pages 328-343

  Komninos, N P ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

Author keywords

Adaptive chemistry; Chemical mechanism reduction; HCCI; Machine epsilon; Run time

Indexed keywords

COMBUSTION; DIFFERENTIAL EQUATIONS;

ADAPTIVE CHEMISTRY; CHEMICAL KINETICS SIMULATION; CHEMICAL MECHANISM; HCCI; INITIAL CONCENTRATION; PARAMETRIC INVESTIGATIONS; RUNTIMES; SYSTEM OF DIFFERENTIAL EQUATIONS;

FUEL ADDITIVES;

EID: 84908425790     PISSN: 00162361     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fuel.2014.09.115     Document Type: Article

References (42)

1. N.P. Komninos, and C.D. Rakopoulos Modeling HCCI combustion of biofuels: a review Renew Sustain Energy Rev 16 2012 1588 1610
2. D.C. Rakopoulos, C.D. Rakopoulos, E.G. Giakoumis, A.M. Dimaratos, and M.A. Founti Comparative environmental behavior of bus engine operating on blends of diesel fuel with four straight vegetable oils of Greek origin: sunflower, cottonseed, corn and olive Fuel 90 2011 3439 3446
3. C. Arcoumanis, C. Bae, R. Crookes, and E. Kinoshita The potential of di-methyl ether (DME) as an alternative fuel for compression-ignition engines: a review Fuel 87 2008 1014 1030
4. D.C. Rakopoulos, C.D. Rakopoulos, R.G. Papagiannakis, and D.C. Kyritsis Combustion heat release analysis of ethanol or n-butanol diesel fuel blends in heavy-duty DI diesel engine Fuel 90 2011 1855 1867
5. J.P. Szybist, J. Song, M. Alam, and A.L. Boehman Biodiesel combustion, emissions and emission control Fuel Process Technol 88 2007 679 691
6. C.D. Rakopoulos, and C.N. Michos Generation of combustion irreversibilities in a spark ignition engine under biogas-hydrogen mixtures fueling Int J Hydrog Energy 34 2009 4422 4437
7. C. Ji, C. Liang, and S. Wang Investigation on combustion and emissions of DME/gasoline mixtures in a spark-ignition engine Fuel 90 2011 1133 1138
8. M. Yao, Z. Zheng, and H. Liu Progress and recent trends in homogeneous charge compression ignition (HCCI) engines Prog Energy Combust Sci 35 2009 398 437
9. S.L. Kokjohn, R.M. Hanson, D.A. Splitter, and R.D. Reitz Fuel reactivity controlled compression ignition (RCCI): a pathway to controlled high-efficiency clean combustion Int J Engine Res 12 2011 209 226
10. D.A. Splitter, and R.D. Reitz Fuel reactivity effects on the efficiency and operational window of dual-fuel compression ignition engines Fuel 118 2014 163 175
11. M. Jia, and M. Xie A chemical kinetics model of iso-octane oxidation for HCCI engines Fuel 85 2006 2593 2604
12. P. Dagaut, and C. Togbé Oxidation kinetics of butanol-gasoline surrogate mixtures in a jet-stirred reactor: experimental and modeling study Fuel 87 2008 3313 3321
13. M. Yao, J. Qin, and Z. Zheng Numerical study of the combustion mechanism of a homogeneous charge compression ignition engine fuelled with dimethyl ether and methane, with a detailed kinetics model. Part 2: The reaction kinetics of dimethyl ether and methane dual-fuel Proc Inst Mech Eng Part J Automob Eng 219 2005 1225 1236
14. Y.L. Wang, D.J. Lee, C.K. Westbrook, F.N. Egolfopoulos, and T.T. Tsotsis Oxidation of small alkyl esters in flames Combust Flame 161 2014 810 817
15. S.L. Fischer, F.L. Dryer, and H.J. Curran The reaction kinetics of dimethyl ether. I: High-temperature pyrolysis and oxidation in flow reactors Int J Chem Kinet 32 2000 713 740
16. P. Dagaut, and C. Togbé Experimental and modeling study of the kinetics of oxidation of ethanol-n-heptane mixtures in a jet-stirred reactor Fuel 89 2010 280 286
17. K. Yasunaga, J.M. Simmie, H.J. Curran, T. Koike, O. Takahashi, and Y. Kuraguchi Detailed chemical kinetic mechanisms of ethyl methyl, methyl tert-butyl and ethyl tert-butyl ethers: the importance of uni-molecular elimination reactions Combust Flame 158 2011 1032 1036
18. I.G. Zsély, T. Nagy, J.M. Simmie, and H.J. Curran Reduction of a detailed kinetic model for the ignition of methane/propane mixtures at gas turbine conditions using simulation error minimization methods Combust Flame 158 2011 1469 1479
19. T. Lu, and C.K. Law Toward accommodating realistic fuel chemistry in large-scale computations Prog Energy Combust Sci 35 2009 192 215
20. W.J. Pitz, and C.J. Mueller Recent progress in the development of diesel surrogate fuels Prog Energy Combust Sci 37 2011 330 350
21. L. Liang, J.G. Stevens, and J.T. Farrell A dynamic adaptive chemistry scheme for reactive flow computations Proc Combust Inst 32 2009 527 534
22. W.H. Green, P.I. Barton, B. Bhattacharjee, D.M. Matheu, D.A. Schwer, and J. Song Computer construction of detailed chemical kinetic models for gas-phase reactors Ind Eng Chem Res 40 2001 5362 5370
23. I. Banerjee, and M.G. Ierapetritou An adaptive reduction scheme to model reactive flow Combust Flame 144 2006 619 633
24. T. Lu, and C.K. Law Linear time reduction of large kinetic mechanisms with directed relation graph: n-Heptane and iso-octane Combust Flame 144 2006 24 36
25. P. Pepiot-Desjardins, and H. Pitsch An efficient error-propagation-based reduction method for large chemical kinetic mechanisms Combust Flame 154 2008 67 81
26. K. He, I.P. Androulakis, and M.G. Ierapetritou On-the-fly reduction of kinetic mechanisms using element flux analysis Chem Eng Sci 65 2010 1173 1184
27. Z. Ren, Y. Liu, T. Lu, L. Lu, O.O. Oluwole, and G.M. Goldin The use of dynamic adaptive chemistry and tabulation in reactive flow simulations Combust Flame 161 2014 127 137
28. N.P. Komninos Assessing the effect of mass transfer on the formation of HC and CO emissions in HCCI engines, using a multi-zone model Energy Convers Manag 50 2009 1192 1201
29. A. Viggiano, and V. Magi Dynamic Adaptive Chemistry applied to homogeneous and partially stratified charge CI ethanol engines Appl Energy 113 2014 848 863
30. I. Glassman Combustion 4th ed. 2008 Academic Press Amsterdam, Boston
31. S.C. Chapra, and R.P. Canale Numerical methods for engineers 1989 McGraw-Hill Singapore
32. R.J. Kee, F.M. Rupley, and J.A. Miller CHEMKIN II: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical kinetics 1989 Sandia National Laboratories Livermore, CA
33. http://www.tfd.chalmers.se/~valeri/MECH.html; 2004.
34. F. Contino, F. Foucher, P. Dagaut, T. Lucchini, G. D'Errico, and C. Mounaïm-Rousselle Experimental and numerical analysis of nitric oxide effect on the ignition of iso-octane in a single cylinder HCCI engine Combust Flame 160 2013 1476 1483
35. Aceves SM, Flowers DL, Martinez-Frias J, Smith JR, Westbrook CK, Pitz WJ, et al. A sequential fluid-mechanic chemical-kinetic model of propane HCCI combustion. SAE 2001-01-1027; 2001.
36. Röhl O, Peters N. A reduced mechanism for ethanol oxidation. European combustion meeting, Vienna, Austria; 14-17 April, 2009.
37. N.M. Marinov A detailed chemical kinetic model for high temperature ethanol oxidation Int J Chem Kinet 31 1999 183 220
38. R. Seiser, H. Pitsch, K. Seshadri, W.J. Pitz, and H.J. Gurran Extinction and autoignition of n-heptane in counterflow configuration Proc Combust Inst 28 2000 2029 2037
39. G. Black, H.J. Curran, S. Pichon, J.M. Simmie, and V. Zhukov Bio-butanol: combustion properties and detailed chemical kinetic model Combust Flame 157 2010 363 373
40. M. Mehl, W.J. Pitz, C.K. Westbrook, and H.J. Curran Kinetic modeling of gasoline surrogate components and mixtures under engine conditions Proc Combust Inst 33 2011 193 200
41. Mehl M, Pitz WJ, Sjöberg M, Dec JE. Detailed kinetic modeling of low-temperature heat release for PRF fuels in an HCCI engine, SAE paper 2009-01-1806; 2009.
42. H.J. Curran, P. Gaffuri, W.J. Pitz, and C.K. Westbrook A comprehensive modeling study of n-heptane oxidation Combust Flame 114 1998 149 177