Saudi Aramco Mechanism Release

AramcoMech 1.3 is a newly developed detailed chemical kinetic mechanism that characterises 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 Centre in NUI Galway and fully funded by Saudi Aramco.

The development of AramcoMech 1.3 was approached in a hierarchical fashion ’from the bottom up’, starting with a C1 sub-mechanism and grown by the inclusion of larger carbon species such as ethane, ethylene, acetylene, higher C3-C4 and oxygenated species.

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 v1.3

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

Legend: Mechanisms Compared

Methane (CH4)

Ignition delay

Shock Tube

Speciation

Jet Stirred Reactor

Flames Speed

  • W. Lowry, J. de Vries, M. Krejci, E.L. Petersen, Z. Serinyel,W.K.Metcalfe, H.J. Curran, G. Bourque, J. Eng. Gas Turbines Power 133 (2011) 091501.
  • Y. Kochar, J. Seitzman, T. Lieuwen, W.K. Metcalfe, S.M. Burke, H.J. Curran, M. Krejci, W. Lowry, E.L Petersen, G. Bourque, ASME Paper GT2011-45122, 56th ASME Turbo Expo (2011).
  • G. Rozenchan, D.L. Zhu, C.K. Law, S.D. Tse, Proc. Combust. Inst. 29 (2002) 1461-1470.
  • X.J. Gu, M.Z. Haq, M. Lawes, R. Woolley, Combust. Flame 121 (2000) 41-58.
  • M.I. Hassan, K.T. Aung, G.M. Faeth, Combust. Flame 115 (1998) 539-550.
  • C.M. Vagelopoulos, F.N. Egolfopoulos, Symposium (International) on Combustion 27 (1998) 513-519.
  • A. Vanmaaren, D.S. Thung, L.P.H. Degoey, Comb. Sci. Tech. 96 (1994) 327-344.
  • C.M. Vagelopoulos, F.N. Egolfopoulos, C.K. Law, Symposium (International) on Combustion 25 (1994) 1341-1347.
  • S.C. Taylor PhD. Thesis, Vol. University of Leeds, 1991. F.N. Egolfopoulos, D.L. Zhu, C.K. Law, Symposium (International) on Combustion 23 (1991) 471-478.
  • Y. Hidaka, K. Sato, Y. Henmi, H. Tanaka and K. Inami, Combust. Flame 118 (1999) 340-358.

Plots

Ethane (C2H6)

Ignition delay

Shock Tube

Speciation

Flames Speed

  • W. Lowry, J. de Vries, M. Krejci, E.L. Petersen, Z. Serinyel,W.K.Metcalfe, H.J. Curran, G. Bourque, J. Eng. Gas Turbines Power 133 (2011) 091501. Y. Kochar, J. Seitzman, T. Lieuwen, W.K. Metcalfe, S.M. Burke, H.J.
    Curran, M. Krejci, W. Lowry, E.L Petersen, G. Bourque, ASME Paper GT2011-45122, 56th ASME Turbo Expo (2011).

Plots

Jet Stirred Reactor

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

Propane (C3H8)

Ignition delay

Shock Tube

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.

Speciation

Flames Speed

Download Plot

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
  • S. Jallais, L. Bonneau, and M. AuzanneauV. Naudet, and S. Bockel-Macal
    An Experimental and Kinetic Study of Ethene Oxidation at a High Equivalence Ratio download
    Ind. Eng. Chem. Res., 2002, 41 (23), 5659-5667
  • 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
    Comb. Sci. Tech. 182 (2010) 333-349

Flow Reactor

  • T. Carriere, P. R. Westmoreland, A. Kazakov, Y. S. Stein, F. L. Dryer
    Modelling ethylene combustion from low to high pressure download
    Proc. Combust. Inst. 29 (2002) 1257-1266.
  • J.G. Lopez, C.L. Rasmussen, M.U. Alzueta, Y. Gao, P. Marshall, P. Glarborg
    Experimental and kinetic modeling study of C2H4 oxidation at high pressure download
    Proc. Combust. Inst. 32 (2009) 367-375.

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

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

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 ‌
    Combustion and Flame 158 (2011) 705–725

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
  • Norton

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)

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.

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