An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

Combustion and Flame - Tập 160 Số 6 - Trang 995-1011 - 2013
Alan Kéromnès1, Wayne K. Metcalfe1, Karl Alexander Heufer1, Nicola Donohoe1, Apurba K. Das2,3, Chih‐Jen Sung3, Jürgen Herzler4, Clemens Naumann4, Peter Griebel4, Olivier Mathieu5, Michael Krejci5, Eric L. Petersen5, William J. Pitz6, Henry J. Curran1
1Combustion Chemistry Centre, National University of Ireland, Galway, University Rd., Galway, Ireland
2Case Western Reserve University, Department of Mechanical & Aerospace Engineering, Cleveland, OH 44106, USA
3University of Connecticut, Department of Mechanical Engineering, Storrs, CT 06269, USA
4German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, Germany
5Texas A&M University, Department of Mechanical Engineering, College Station, TX 77843, USA
6#N#Lawrence Livermore National Laboratory, Livermore, CA 94551, USA

Tóm tắt

Từ khóa


Tài liệu tham khảo

White, 2006, Int. J. Hydrogen Energy, 31, 1292, 10.1016/j.ijhydene.2005.12.001

R. Kuroki, A. Kato, E. Kamiyama, D. Sawada, SAE 2010-01-0581, 2010.

Killingsworth, 2010, Proc. Combust. Inst., 33, 3141, 10.1016/j.proci.2010.07.035

Ó Conaire, 2004, Int. J. Chem. Kinet., 36, 603, 10.1002/kin.20036

Konnov, 2008, Combust. Flame, 152, 507, 10.1016/j.combustflame.2007.10.024

Hong, 2011, Combust. Flame, 158, 633, 10.1016/j.combustflame.2010.10.002

Li, 2004, Int. J. Chem. Kinet., 36, 566, 10.1002/kin.20026

Davis, 2005, Proc. Combust. Inst., 30, 1283, 10.1016/j.proci.2004.08.252

Burke, 2012, Int. J. Chem. Kinet., 44, 444, 10.1002/kin.20603

Li, 2007, Int. J. Chem. Kinet., 39, 109, 10.1002/kin.20218

H. Wang, X. You, A.V. Joshi, S.G. Davis, A. Laskin, F. Egolfopoulos, C.K. Law, USC Mech. Version II, 2007. <http://ignis.usc.edu/USC_Mech_II.htm>.

G.P. Smith, D.M. Golden, M. Frenklach, N.W. Moriarty, B. Eiteneer, M. Goldenberg, C.T. Bowman, R.K. Hanson, S. Song, J. William C. Gardiner, V.V. Lissianski, Z. Qin, GRI-Mech VERSION 3.0, 1999. <http://www.me.berkeley.edu/gri_mech/>.

Mittal, 2006, Int. J. Chem. Kinet., 38, 516, 10.1002/kin.20180

Lee, 1998, Int. J. Chem. Kinet., 30, 385, 10.1002/(SICI)1097-4601(1998)30:6<385::AID-KIN1>3.0.CO;2-O

Bradley, 2007, Combust. Flame, 149, 162, 10.1016/j.combustflame.2006.12.002

Burke, 2010, Combust. Flame, 157, 618, 10.1016/j.combustflame.2009.08.009

Gersen, 2008, Int. J. Hydrogen Energy, 33, 1957, 10.1016/j.ijhydene.2008.01.017

Walton, 2007, Proc. Combust. Inst., 31, 3147, 10.1016/j.proci.2006.08.059

R.J. Kee, F.M. Rupley, J.A. Miller, Chemkin-II: A Fortran Chemical Kinetics Package for the Analysis of Gas-phase Chemical Kinetics, Report No. SAND89-8009, Sandia National Laboratories, 1989.

R.J. Kee, F.M. Rupley, J.A. Miller, M.E. Coltrin, J.F. Grcar, E. Meeks, H.K. Moffat, A.E. Lutz, G. Dixon-Lewis, M.D. Smooke, J. Warnatz, G.H. Evans, R.S. Larson, R.E. Mitchell, L.R. Petzold, W.C. Reynolds, M. Caracotsios, W.E. Stewart, P. Glarborg, C. Wang, C.L. McLellan, O. Adigun, W.G. Houf, C.P. Chou, S.F. Miller, P. Ho, P.D. Young, D.J. Young, D.W. Hodgson, M.V. Petrova, K.V. Puduppakkam, CHEMKIN Release 4.1.1, Reaction Design, San Diego, CA, 2007.

Middha, 2002, Proc. Combust. Inst., 29, 1361, 10.1016/S1540-7489(02)80167-5

Middha, 2005, Combust. Theory Modell., 9, 353, 10.1080/13647830500098431

G. Mittal, C.J. Sung, Rapid Compression Machine (RCM) Database, 2009. <http://www.mae.case.edu/facilities/cdl/projects/rapidcomp/rapiddatabase/h2co>.

Fernandes, 2008, Phys. Chem. Chem. Phys., 10, 4313, 10.1039/b804553d

Hong, 2011, Proc. Combust. Inst., 33, 309, 10.1016/j.proci.2010.05.101

Bates, 2001, Phys. Chem. Chem. Phys., 3, 2337, 10.1039/b010002l

Cobos, 1985, J. Phys. Chem., 89, 342, 10.1021/j100248a033

Mueller, 1998, Proc. Combust. Inst., 27, 177, 10.1016/S0082-0784(98)80403-7

Masten, 1990, J. Phys. Chem., 94, 7119, 10.1021/j100381a033

Pitz, 1986, Combust. Flame, 63, 113, 10.1016/0010-2180(86)90115-X

Ruscic, 2002, J. Phys. Chem. A, 106, 2727, 10.1021/jp013909s

A. Burcat, B. Ruscic, Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion, 2009. <http://garfield.chem.elte.hu/Burcat/burcat.html>.

Pirraglia, 1989, J. Phys. Chem., 93, 282, 10.1021/j100338a058

Hessler, 1998, J. Phys. Chem. A, 102, 4517, 10.1021/jp971416a

Baulch, 2005, J. Phys. Chem. Ref. Data, 34, 757, 10.1063/1.1748524

Tsang, 1986, J. Phys. Chem. Ref. Data, 15, 1087, 10.1063/1.555759

Ellingson, 2007, J. Phys. Chem. A, 111, 13554, 10.1021/jp077379x

Baldwin, 1967, Trans. Faraday Soc., 63, 1676, 10.1039/tf9676301676

Michael, 2002, J. Phys. Chem. A, 106, 5297, 10.1021/jp020229w

Hong, 2010, J. Phys. Chem. A, 114, 5718, 10.1021/jp100204z

Troe, 2011, Combust. Flame, 158, 594, 10.1016/j.combustflame.2010.08.013

Sellevåg, 2009, J. Phys. Chem. A, 113, 4457, 10.1021/jp8110524

Hippler, 1992, Chem. Phys. Lett., 192, 333, 10.1016/0009-2614(92)85478-S

Srinivasan, 2006, Int. J. Chem. Kinet., 38, 211, 10.1002/kin.20172

Sellevåg, 2008, J. Phys. Chem. A, 112, 5085, 10.1021/jp711800z

Michael, 1988, J. Phys. Chem, 92, 2853, 10.1021/j100324a035

K.-Y. Lam, D.F. Davidson, R.K. Hanson, Int. J. Chem. Kinet., (2013) in press.

Oldenborg, 1992, J. Phys. Chem., 96, 8426, 10.1021/j100200a041

Hong, 2010, J. Phys. Chem. A, 114, 5520, 10.1021/jp100739t

Srinivasan, 2006, J. Phys. Chem. A, 110, 6602, 10.1021/jp057461x

Keyser, 1988, J. Phys. Chem., 92, 1193, 10.1021/j100316a037

Baulch, 1992, J. Phys. Chem. Ref. Data, 21, 411, 10.1063/1.555908

L.B. Harding, S.J. Klippenstein, personal communication.

Hippler, 1990, J. Chem. Phys., 93, 1755, 10.1063/1.459102

Michael, 2000, Proc. Combust. Inst., 28, 1471, 10.1016/S0082-0784(00)80543-3

M. Ó Conaire, PhD Thesis, National University of Ireland Galway, 2005.

Mueller, 1999, Int. J. Chem. Kinet., 31, 705, 10.1002/(SICI)1097-4601(1999)31:10<705::AID-JCK4>3.0.CO;2-#

Westmoreland, 1986, AIChE J., 32, 1971, 10.1002/aic.690321206

Troe, 1979, J. Phys. Chem., 83, 114, 10.1021/j100464a019

Sun, 2007, Proc. Combust. Inst., 31, 439, 10.1016/j.proci.2006.07.193

Baldwin, 1972, Int. J. Chem. Kinet., 4, 277, 10.1002/kin.550040305

Zhao, 2005, Int. J. Chem. Kinet., 37, 282, 10.1002/kin.20080

Joshi, 2006, Int. J. Chem. Kinet., 38, 57, 10.1002/kin.20137

You, 2007, J. Phys. Chem. A, 111, 4031, 10.1021/jp067597a

Chaos, 2008, Combust. Sci. Technol., 180, 1053, 10.1080/00102200801963011

Sung, 2008, Combust. Sci. Technol., 180, 1097, 10.1080/00102200801963169

Rasmussen, 2008, Int. J. Chem. Kinet., 40, 454, 10.1002/kin.20327

Kalitan, 2007, J. Propuls. Power, 23, 1291, 10.2514/1.28123

Bhaskaran, 1973, Combust. Flame, 21, 45, 10.1016/0010-2180(73)90005-9

Herzler, 2009, Proc. Combust. Inst., 32, 213, 10.1016/j.proci.2008.07.034

Kathrotia, 2010, Combust. Flame, 157, 1261, 10.1016/j.combustflame.2010.04.003

Tamura, 1998, Combust. Flame, 114, 502, 10.1016/S0010-2180(97)00324-6

Brett, 2001, Combust. Flame, 124, 326, 10.1016/S0010-2180(00)00193-0

Gallagher, 2008, Combust. Flame, 153, 316, 10.1016/j.combustflame.2007.09.004

Würmel, 2005, Combust. Flame, 141, 417, 10.1016/j.combustflame.2005.01.015

Morley, Gaseq ver 0.79, 2005. <http://www.c.morley.dsl.pipex.com/>.

G. Mittal, PhD Thesis, Case Western Reserve University, 2006.

Mittal, 2007, Combust. Sci. Technol., 179, 497, 10.1080/00102200600671898

Das, 2012, Int. J. Hydrogen Energy, 37, 6901, 10.1016/j.ijhydene.2012.01.111

Babushok, 1998, Combust. Flame, 115, 551, 10.1016/S0010-2180(98)00019-4

Ambler, 1934, Analyst, 809, 10.1039/an9345900809

Sendroy, 1995, Anal. Chem., 27, 1641, 10.1021/ac60106a045

M.C. Krejci, O. Mathieu, A.J. Vissotski, S. Ravi, T.G. Sikes, E.L. Petersen, A. Keromnes, W. Metcalfe, H.J. Curran Paper GT2012-69290, Proceedings of ASME Turbo Expo 2012-GT2012.

Petersen, 2005, Meas. Sci. Technol., 16, 1716, 10.1088/0957-0233/16/9/003

Pang, 2009, Proc. Combust. Inst., 32, 181, 10.1016/j.proci.2008.06.014

de Vries, 2011, Fuel, 90, 331, 10.1016/j.fuel.2010.07.040

Lowry, 2011, J. Eng. Gas Turb. Power, 133, 10.1115/1.4002809

Settles, 2006

Herzler, 2008, Combust. Sci. Technol., 180, 2015, 10.1080/00102200802269715

Sutherland, 1986, Proc. Combust. Inst., 21, 929, 10.1016/S0082-0784(88)80325-4

Sutherland, 1991, Proc. Combust. Inst., 23, 51, 10.1016/S0082-0784(06)80241-9

Timonen, 1988, J. Phys. Chem., 92, 651, 10.1021/j100314a017

Timonen, 1987, J. Phys. Chem., 91, 692, 10.1021/j100287a039

Paul, 1995, J. Chem. Phys., 102, 8378, 10.1063/1.468829

Smith, 2002, Combust. Flame, 131, 59, 10.1016/S0010-2180(02)00399-1