Saudi Aramco Mechanism Release

AramcoMech2.0 builds upon AramcoMech1.3 and has been developed to characterise the kinetic and thermochemical properties of a large number of C1–C4 based hydrocarbon and oxygenated fuels over a wide range of experimental conditions. It was developed by the Combustion Chemistry Centreat NUI Galway and has been funded by Saudi Aramco.

AramcoMech2.0 has been developed in a hierarchical way ’from the bottom up’, starting with a H2/O2 sub-mechanism, followed by a C1 sub-mechanism and has grown to include larger carbon species such as ethane, ethylene, acetylene, allene, propyne, propene, n-butane, isobutane, isobutene, 1-butene and 2-butene, and oxygenated species including formaldehyde, acetaldehyde, methanol, ethanol, and dimethyl ether.

This mechanism has been validated against a large array of experimental measurements including data from shock tubes, rapid compression machines, flames, jet-stirred and plug-flow reactors.

Saudi aramco Mechanism v2.0

The paper listed below refers to the work from which the mechanism is derived. Please cite this paper if referring to the mechanism.

Validation

Methane (CH4)

Ignition delay

Shock Tube

Speciation

Jet Stirred Reactor

Flames Speed

  • Yash Kochar, Jerry Seitzman and Timothy Lieuwen, Wayne Metcalfe, Sinéad Burke and Henry Curran, Michael Krejci, William Lowry and Eric Petersen
    Laminar Flame Speed Measurements and Modeling of Alkane Blends at Elevated Pressures with Various Diluents download 
    Proceedings of ASME Turbo Expo 2011, GT2011, June 6-10, 2011, Vancouver, British Columbia, Canada, GT2011-45122
  • W. Lowry, J. de Vries, M. Krejci, E.L. Petersen, Z. Serinyel,W.K.Metcalfe, H.J. Curran, G. Bourque
    Laminar Flame Speed Measurements and Modeling of Pure Alkanes and Alkane Blends at Elevated Pressures
    J. Eng. Gas Turbines Power 133 (2011) 091501.
  • G. Rozenchan, D.L. Zhu, C.K. Law, S.D. Tse
    Outward propagation, burning velocities, and chemical effects of methane flames up to 60 ATM
    Proc. Combust. Inst. 29 (2002) 1461-1470.
  • X.J. Gu, M.Z. Haq, M. Lawes, R. Woolley
    Laminar burning velocity and Markstein lengths of methane–air mixtures
    Combust. Flame 121 (2000) 41-58.

Plots

Ethane (C2H6)

Ignition delay

Shock Tube

Speciation

Jet Stirred Reactor

  • Yash Kochar, Jerry Seitzman and Timothy Lieuwen, Wayne Metcalfe, Sinéad Burke and Henry Curran, Michael Krejci, William Lowry and Eric Petersen
    Laminar Flame Speed Measurements and Modeling of Alkane Blends at Elevated Pressures with Various Diluents download 
    Proceedings of ASME Turbo Expo 2011, GT2011, June 6-10, 2011, Vancouver, British Columbia, Canada, GT2011-45122

Flames Speed

Methane/Ethane (CH4/C2H6)

Ignition delay

Shock Tube

  • C.J. Aul, W.K. Metcalfe, S.M. Burke, H.J. Curran, E.L. Petersen
    Ignition and Kinetic Modeling of Methane and Ethane Fuel Blends with Oxygen: A Design of Experiments Approach
    Combust. Flame (2013) 160 1153–1167.
  • J. Herzler and C. Naumann
    Shock-tube study of the ignition of methane/ethane/hydrogen mixtures with hydrogen contents from 0% to 100% at different pressures download
    Proceedings of the Combustion Institute 32 (2009) 213–220

Speciation

Jet Stirred Reactor

  • P. Dagaut and G. Dayma
    Hydrogen-enriched natural gas blend oxidation under high-pressure conditions: Experimental and detailed chemical kinetic modeling download
    International Journal of Hydrogen Energy 31 (2006) 505 – 515

Flames Speed

  • Yash Kochar, Jerry Seitzman and Timothy Lieuwen, Wayne Metcalfe, Sinéad Burke and Henry Curran, Michael Krejci, William Lowry and Eric Petersen
    Laminar Flame Speed Measurements and Modeling of Alkane Blends at Elevated Pressures with Various Diluents download 
    Proceedings of ASME Turbo Expo 2011, GT2011, June 6-10, 2011, Vancouver, British Columbia, Canada, GT2011-45122

Propane (C3H8)

Ignition delay

Shock Tube

Speciation

Flames Speed

  • Yash Kochar, Jerry Seitzman and Timothy Lieuwen, Wayne Metcalfe, Sinéad Burke and Henry Curran, Michael Krejci, William Lowry and Eric Petersen
    Laminar Flame Speed Measurements and Modeling of Alkane Blends at Elevated Pressures with Various Diluents download 
    Proceedings of ASME Turbo Expo 2011, GT2011, June 6-10, 2011, Vancouver, British Columbia, Canada, GT2011-45122

Ethene (C2H4)

Ignition delay

Shock Tube

  • O.G. Penyazkov, K.L. Sevrouk, V. Tangirala and N. Joshi
    High-pressure ethylene oxidation behind reflected shock waves download 
    Proceedings of the Combustion Institute 32 (2009) 2421–2428
  • Horning D.C.
    A study of the high-temperature autoignition and thermal decomposition of hydrocarbons. download [PhD Thesis].
    California: Stanford University, 2001. 87-89
  • S. Saxena,M.S.P. Kahandawala, S.S. Sidhu
    A shock tube study of ignition delay in the combustion of ethylene download
    Combust. Flame 158 (6) (2011) 1019-1031.
  • Fiona Rita Gillespie
    An Experimental and modeling studfy of the combustion of oxygenated hydrocarbons. download [PhD Thesis].
    Galway: National University of Ireland, Galway, 2014, page 174
  • M.M. Kopp, N.S. Donato, E.L. Petersen, W.K. Metcalfe, S.M. Burke, H.J. Curran
    Ignition and Oxidation of Ethylene-Air Mixtures at Elevated Pressures, Part 1: Experimental Results download
    Journal of Propulsion and Power (2014) 30(3) 790–798.

Speciation

Flames Speed

  • Author: Egolfopoulos, F.N., Zhu, D.L., and Law, C.K.
    Title: Experimental and numerical determination of laminar flame speeds: Mixtures of C2-hydrocarbons with oxygen and nitrogen
    Journal: Proc. Combust. Inst. 1990, 23, 471
  • Author: Hassan, M. I., Aung, K. T., Kwon, K. C., and Faeth, G. M.
    Title: Properties of Laminar Premixed Hydrocarbon/Air Flames at Various Pressures
    Journal: J. Propul. Power 1994, 14, 479
  • Author: Jomaas, G., Zheng, X. L., Zhu, D. L., and Law, C. K.
    Title: Experimental determination of counterflow ignition temperatures and laminar flame speeds of C2–C3 hydrocarbons at atmospheric and elevated pressures
    Journal: Proc. Combust. Inst. 2005, 30, 193

Plots

Jet Stirred Reactor

  • P. Dagaut, J.C. Boettner, M. Cathonnet
    Ethylene Pyrolysis and Oxidation: A Kinetic Modeling Study download
    Comb. Sci. Tech. 77 (1-3) (1991) 127-148

Ethyne (C2H2)

Ignition delay

Shock Tube

  • B. Eiteneer andM. Frenklach
    Experimental and Modeling Study of Shock-Tube Oxidation of Acetylene download
    Int J Chem Kinet 35: 391–414 (2003)
    Mixture composition: acetylene/O2/Ar phi = 0.0625-1.66
    Pressure:0.9-1.9 atm
    Temperature:1150-2132 K
    Method of detection: laser absorption of CO
  • Y.Hidaka,K.Hattori,T. Okuno, K.Inami, T. Abe andT. Koike
    Shock-Tube and Modeling Study of Acetylene Pyrolysis and Oxidation download
    Combustion and Flame 107:401-417 (1996)
    Mixture composition: C2H2/O2/H2/Ar
    Pressure:1.1-2.6 atm
    Temperature:
    1100-2000 K
    Method of detection:
    ignition delay, real time spectroscopy

Speciation

Flames Speed

  • Jomaas, G., Zheng, X. L., Zhu, D. L., and Law, C. K.
    Experimental determination of counterflow ignition temperatures and laminar flame speeds of C2–C3 hydrocarbons at atmospheric and elevated pressures. download
    Proc. Combust. Inst. 2005, 30, 193.

Flow Reactor

  • M.U. Alzueta, M. Borruey, A. Callejas, A. Millera and R. Bilbao
    An experimental and modeling study of the oxidation of acetylene in a flow reactor download
    Combustion and Flame 152 (2008) 377–386

Ethanol (C2H5OH)

Ignition delay

Shock Tube

  • K.A. Heufer and H. Olivier
    Determination of ignition delay times of different hydrocarbons in a new high pressure shock tube download
    Shock Waves, 2010. 20(4): p. 307-316.
  • K. E. Noorani, B. Akih-Kumgeh and J. M. Bergthorson
    Comparative High Temperature Shock Tube Ignition of C1-C4 Primary Alcohols download
  • Fiona Rita Gillespie
    An Experimental and modeling studfy of the combustion of oxygenated hydrocarbons download [PhD Thesis]
    Galway: National University of Ireland, Galway, 2014, 89-92

Speciation

Jet Stirred Reactor

  • N. Leplat, P. Dagaut, C. Togbé, J. Vandooren
    Numerical and experimental study of ethanol combustion and oxidation in laminar premixed flames and in jet-stirred reactor download
    Combustion and Flame 158 (2011) 705–725

Flames Speed

  • Author: Peter S. Veloo, Yang L. Wang, Fokion N. Egolfopoulos, Charles K. Westbrook
    A comparative experimental and computational study of methanol, ethanol, and n-butanol flames download
    Journal: Combustion and Flame 157 (2010) 1989–2004

Flow Reactor

  • Li, J.; Kazakov, A.; Chaos, M.; Dryer, F. L.
    Chemical Kinetics of Ethanol Oxidation download
    5th US Combustion Meeting University of California at San Diego 2007; pp 1.
  • T. S. Norton, F. L. Dryer
    An experimental and modeling study of ethanol oxidation kinetics in an atmospheric pressure flow reactor download
    International Journal of Chemical Kinetics, Volume 24, Issue 4, April 1992, Pages 319–344

Propene (C3H6)

Ignition delay

Shock Tube

  • Z. Qin, H. Yang and W. C. Gardiner, JR.
    Measurement and Modeling of Shock-Tube Ignition Delay for Propene download
    Combustion and Flame  124:246–254 (2001)
  • S.M. Burke, U. Burke, R. Mc Donagh, O. Mathieu, I. Osorio, C. Keesee, A. Morones, E.L. Petersen, W. Wang, T.A. DeVerter, M.A. Oehlschlaeger, B. Rhodes, R.K. Hanson, D. Davidson, B.W. Weber, C-J. Sung, J. Santner, Y. Ju, F.M. Haas, F.L. Dryer, E.N. Volkov, E.J.K. Nilsson, A.A. Konnov, M. Alrefae, F. Khaled, A. Farooq, P. Dirrenberger, P-A. Glaude, F. Battin-Leclerc, H.J. Curran
    An Experimental and Modeling Study of Propene Oxidation. Part 2: Ignition Delay Time and Flame Speed Measurements
    Combustion and Flame (2015) 162(2) 296–314

Speciation

Jet Stirred Reactor

  • P. Dagaut, M. Cathonnet, J.C. Boettner
    Experimental study and kinetic modeling of propene oxidation in a jet stirred flow reactor download
    J. Phys. Chem., 92 (1988), pp. 661–671
  • T. Le Cong, E. Bedjanian, P. Dagaut
    Oxidation of Ethylene and Propene in the Presence of CO2 and H2O: Experimental and Detailed Kinetic Modeling Study download
    Combust. Sci. Technol., 182 (2010), pp. 333–349

Flow Reactor

  • S.M. Burke, W.K. Metcalfe, O. Herbinet, F. Battin-Leclerc, F.M. Haas, J. Santner, F.L. Dryer, H.J. Curran
    An Experimental and Modeling Study of Propene Oxidation. Part 1: Speciation Measurements in Jet-Stirred and Flow Reactors download
    Combustion and Flame (2014) 161(11) 2765–2784.

Flames Speed

  • S.M. Burke, U. Burke, R. Mc Donagh, O. Mathieu, I. Osorio, C. Keesee, A. Morones, E.L. Petersen, W. Wang, T.A. DeVerter, M.A. Oehlschlaeger, B. Rhodes, R.K. Hanson, D. Davidson, B.W. Weber, C-J. Sung, J. Santner, Y. Ju, F.M. Haas, F.L. Dryer, E.N. Volkov, E.J.K. Nilsson, A.A. Konnov, M. Alrefae, F. Khaled, A. Farooq, P. Dirrenberger, P-A. Glaude, F. Battin-Leclerc, H.J. Curran
    An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements download
    Combustion and Flame (2015) 162(2) 296–314.

Formaldehyde (CH2O)

Speciation

Flow Reactor

  • S. Hochgreb, R.A. Yetter and F.L. Dryer
    The oxidation of CH2O in the intermediate temperature range (943-995 K) download
    Symposium (International) on Combustion 1991, 23 (1), 171-177

Acetaldehyde (CH3CHO)

Ignition delay

Shock Tube

  • K. Yasunaga, S. Kubo, H. Hoshikawa, T. Kamesawa and Hidaka, Y.
    Shock-tube and modeling study of acetaldehyde pyrolysis and oxidation download
    Int. J. Chem. Kinet. 2008, 40 (2), 73-102

Speciation

Flow Reactor

  • D.C.Z. Zarubiak M.S.E Thesis Princeton University, Princeton, 1997 download

Acetone (CH3COCH3)

Ignition delay

Shock Tube

  • S. Pichon, G. Black, N. Chaumeix, M. Yahyaoui, J.M. Simmie, H.J. Curran and R. Donohue
    The combustion chemistry of a fuel tracer: Measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone download
    Combustion and Flame 156 (2009) 494–504

Speciation

Flow Reactor

  • M.U. Alzueta, Z. Serinyel, J. M. Simmie and H. J. Curran
    Oxidation of Acetone and Its Interaction with Nitric Oxide download
    Energy Fuels 2010, 24, 1511–1520

Methanol (CH3OH)

Ignition delay

Shock Tube

  • C.T. Bowman
    A shock-tube investigation of the high-temperature oxidation of methanol. download
    Combustion and Flame, 1975. 25: p. 343-354.
  • K. Fieweger, R. Blumenthal, G. Adomeit,
    Self-Ignition of S.I. Engine Model Fuels: A Shock Tube Investigation at High Pressure download
    Combust. Flame 109 (1997) 599-619.
  • Noorani, K.E., B. Akih-Kumgeh, and J.M. Bergthorson
    Comparative High Temperature Shock Tube Ignition of C1-C4 Primary Alcohols. download
    Energy & Fuels, 2010. 24(11): p. 5834-5843.
  • U. Burke, W.K. Metcalfe, S.M. Burke, K. A. Heufer, P. Dagaut, H.J. Curran
    A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation download
    Combustion and Flame (2016) 165 125–136.

Speciation

Flow Reactor

  • T.J. Held and F.L. Dryer
    A Comprehensive Mechanism for Methanol Oxidation download
    Inc. Int J Chem Kinet 30: 805–830, 1998

Flames Speed

  • Peter S. Veloo, Yang L. Wang, Fokion N. Egolfopoulos, Charles K. Westbrook
    A comparative experimental and computational study of methanol, ethanol, and n-butanol flames download
    Combustion and Flame 157 (2010) 1989–2004

Dimethylether (CH3OCH3)DME/CH4 (CH3OCH3/CH4)

Ignition delay

Shock Tube

  • R.D. Cook, D.F. Davidson and R.K. Hanson
    High-Temperature Shock Tube Measurements of Dimethyl Ether Decomposition and the Reaction of Dimethyl Ether with OH download
    J. Phys. Chem. A 2009, 113, 9974–9980
  • R.D. Cook, D.F. Davidson, R.K. Hanson
    Shock tube measurements of ignition delay times and OH time-histories in dimethyl ether oxidation download
    Proceedings of the Combustion Institute 32 (2009) 189–196
  • Fiona Rita Gillespie
    An Experimental and modeling studfy of the combustion of oxygenated hydrocarbons. download [PhD Thesis]
    Galway: National University of Ireland, Galway, 2014, 89-92
  • U. Burke, K.P. Somers, P. O’Toole, C.M. Zinner, N. Marquet, G. Bourque, E.L. Petersen, W.K. Metcalfe, Z. Serinyel, H.J. Curran
    An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures download
    Combustion and Flame (2015) 162(2) 315–330.

Speciation

Flow Reactor

  • H. J. Curran, S. L. Fischer, F. L. Dryer<
    The reaction kinetics of dimethyl ether. II: Low-temperature oxidation in flow reactors download
    International Journal of Chemical Kinetics, 32, (2000) Pages 741–759

Flames Speed

  • J. de Vries, W. B. Lowry, Z. Serinyel, H. J. Curran, E. L. Petersen
    Laminar Flame Speed Measurements of Dimethyl Ether in Air at Pressures up to 10 atm download
    Fuel (2011) 90(1) 331–338

DME/CH4 (CH3OCH3/CH4)

Ignition delay

Shock Tube

  • U. Burke, K.P. Somers, P. O’Toole, C.M. Zinner, N. Marquet, G. Bourque, E.L. Petersen, W.K. Metcalfe, Z. Serinyel, H.J. Curran
    An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures download
    Combustion and Flame (2015) 162(2) 315–330.

Speciation

Flames Speed

  • W. B. Lowry, Z. Serinyel, M. C. Krejci, H. J. Curran, G. Bourque and E. L. Petersen
    Effect of Methane–Dimethyl Ether Fuel Blends on Flame Stability, Laminar Flame Speed, and Markstein Length download
    Proceedings of the Combustion Institute (2011) 33 929–937