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Recent Publications
Jorge Mendes, Chong-Wen Zhou and Henry J. Curran
Theoretical and Kinetic Study of the Reactions of Ketones with HO2 Radicals. Part I: Abstraction Reaction Channels J. Phys. Chem. A
(2013) Articles ASAP.
Chong-Wen Zhou, Jorge Mendes and Henry J. Curran
Theoretical and Kinetic Study of the Reaction of Ethyl Methyl Ketone with HO2 for T = 600-1,600 K. Part II: Addition Reaction Channels J. Phys. Chem. A
(2013) Articles ASAP.
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 Combustion and Flame
(2013)
160 1153–1167.
Alan Kéromnès, Wayne K. Metcalfe,
Karl A. Heufer,
Nicola Donohoe,
Apurba K. Das,
Chih-Jen Sung,
Jürgen Herzler,
Clemens Naumann,
Peter Griebel,
Olivier Mathieu,
Michael C. Krejci,
Eric Petersen,
William J. Pitz,
Henry J. Curran
An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures Combustion and Flame
(2013)
160 995–1011.
M. Brower, E. Petersen, W. Metcalfe, H.J. Curran, M. Füri, G. Bourque, N. Aluri, F. Güthe
Ignition delay time and laminar flame speed calculations for natural gas/hydrogen blends at elevated pressures Journal of Engineering for Gas Turbines and Power-Transactions of the ASME
(2013)
135(2)
Article Number: 21504.
M.C. Krejci, O. Mathieu, A.J. Vissotski, S. Ravi, T.G. Sikes, E.L. Petersen, A. Kérmonès,
W. Metcalfe, H.J. Curran
Laminar Flame Speed and Ignition Delay Time Data for the Kinetic Modeling of Syngas Fuel Blends Journal of Engineering for Gas Turbines and Power-Transactions of the ASME
(2013)
135(2)
Article Number: 21503.
John. M. Simmie, Kieran P. Somers, Wayne K. Metcalfe, Henry J. Curran
Substituent Effects in the Thermochemistry of Furans. A Theoretical (CBS-QB3, CBS-APNO and G3) Study The Journal of Chemical Thermodynamics
(2013)
58
117–128.
Alexander Heufer, John Bugler, Henry J. Curran
A comparison of longer alkane and alcohol ignition including new experimental results for
n-pentanol and
n-hexanol Proceedings of the Combustion Institute
(2013)
34 511–518.
Chong-Wen Zhou, Stephen J. Klippenstein, John M. Simmie, Henry J. Curran
Theoretical kinetics for the decomposition of iso-butanol and related (CH3)2CH + CH2OH reactions Proceedings of the Combustion Institute
(2013)
34 501–509.
D. Katsikadakos, C.-W. Zhou, J.M. Simmie, H.J. Curran, P.A. Hunt, Y. Hardalupas, A.M.K.P. Taylor
Rate constants of hydrogen abstraction by methyl radical from
n-butanol and a comparison of CanTherm, MultiWell and Variflex Proceedings of the Combustion Institute
(2013)
34 483–491.
D. Darcy, M. Mehl, J.M. Simmie, J. Würmel, W.K. Metcalfe, C.K.
Westbrook, W.J. Pitz, H.J. Curran
An experimental and modeling study of the shock tube ignition of a mixture of
n-heptane and
n-propylbenzene as a surrogate for a large alkyl benzene Proceedings of the Combustion Institute
(2013)
34 411–418.
Weijing Wang, Zhenhua Li, Matthew A. Oehlschlaeger, Darren Healy, Henry J. Curran, S. Mani Sarathy, Marco Mehl, William J. Pitz, Charles K. Westbrook
An experimental and modeling study of the autoignition of 3-methylheptane Proceedings of the Combustion Institute
(2013)
34 335–343.
Philipp Friese, John M. Simmie, Matthias Olzmann
The reaction of 2,5-dimethylfuran with hydrogen atoms – An experimental and theoretical study Proceedings of the Combustion Institute
(2013)
34
233–239.
K.P. Somers, J.M. Simmie, F. Gillespie, U. Burke, J. Connolly, W.K. Metcalfe, F. Battin-Leclerc, P. Dirrenberger, O. Herbinet, P.-A. Glaude, H.J. Curran
A high temperature and atmospheric pressure experimental and detailed chemical kinetic modelling study of 2-methyl furan oxidation Proceedings of the Combustion Institute
(2013)
34 225–232.
David Feller and John M. Simmie
High Level ab Initio Enthalpies of Formation of 2,5-Dimethylfuran, 2-Methylfuran, and Furan J. Phys. Chem. A (2012) 116(47) 11768–11775.
John M. Simmie
Kinetics and Thermochemistry of 2,5-Dimethyltetrahydrofuran and Related Oxolanes: Next Next-Generation Biofuels J. Phys. Chem. A
(2012)
116(18) 4528–4538.
F. Gillespie, W.K. Metcalfe, P. Dirrenberger, O. Herbinet, P-A. Glaude, F. Battin-Leclerc, H.J. Curran
Measurements of Flat-Flame Velocities of Diethyl Ether in Air Energy
(2012)
43 140–145.
D. Darcy, C.J. Tobin, K. Yasunaga, J.M. Simmie, J. Würmel, W.K. Metcalfe, T. Niass, S.S. Ahmed, C.K. Westbrook, H.J. Curran
A High Pressure Shock Tube Study of
n-Propylbenzene Oxidation and its Comparison with n-Butylbenzene Combustion and Flame
(2012)
159 2219–2232.
T. Turányi, T. Nagy, I. Gy. Zsély, M. Cserháti, T. Varga, B. Szabó, I. Sedyó, P.T. Kiss, A. Zempléni, H.J. Curran
Determination of Rate Parameters Based on both Direct and Indirect Measurements Int. J. Chem. Kinet.
(2012)
44 284–302.
K. Yasunaga, T. Mikajiri, S.M. Sarathy, T. Koike, F. Gillespie, T. Nagy, J.M. Simmie, H.J. Curran
A Shock Tube and Chemical Kinetic Modeling Study of the Pyrolysis and Oxidation of Butanols Combustion and Flame
(2012)
159(6) 2009–2027.
S.M. Sarathy, S. Vranckx, K. Yasunaga, M. Mehl, P. Oßwald, W.K. Metcalfe, C.K. Westbrook, W.J. Pitz, K. Kohse-Höinghaus, R.X. Fernandes, H.J. Curran
A Comprehensive Chemical Kinetic Combustion Model for the Four Butanol Isomers Combustion and Flame
(2012)
159(6) 2028–2055.
R. Monaghan, R. Tahir, A. Cuoci, G. Bourque, M. Füri, R. Gordon, T. Faravelli, A. Frassoldati, H.J. Curran
A Detailed Multi-Dimensional Study of Pollutant Formation in a Methane Diffusion Flame Energy and Fuels
(2012)
26 1598–1611.
B. Husson, R. Bounaceur, K. Tanaka, M. Ferrari, O. Herbinet, P-A. Glaude, R. Fournet, F. Battin-Leclerc, M. Crochet, G. Vanhove, R. Minetti, C.J. Tobin, K. Yasunaga, J.M. Simmie, H.J. Curran, T. Niass, O. Mathieu, S.S. Ahmed
Experimental and Modeling Study of the Oxidation of
n-Butylbenzene Combustion and Flame
(2012)
159(4) 1399–1416.
C-W. Zhou, J.M. Simmie, H.J. Curran
Rate Constants for Hydrogen Abstraction by HO2 from
n-Butanol Int. J. Chem. Kinet.
(2012)
44
155–164.
John M. Simmie and Wayne K. Metcalfe
Ab Initio Study of the Decomposition of 2,5-Dimethylfuran J. Phys. Chem. A (2011) 115(32) 8877–8888.
C-W. Zhou, J. M. Simmie and H. J. Curran
Ab initio and kinetic study of the reaction of ketones with OH for
T="500-2,000" K. Part I: hydrogen-abstraction from H3CC(O)CH(3-x)CH3, x="0-2"
Phys. Chem. Chem. Phys.
(2011)
13 11175–11192.
I. Gy. 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 Combustion and Flame
(2011)
158 1469–1479.
W. Lowry, J. de Vries, M. Krejci, E. Petersen, Z. Serinyel, W. Metcalfe, H. Curran and G. Bourque
Laminar Flame Speed Measurements and Modeling of Pure Alkanes and Alkane Blends at Elevated Pressures Journal of Engineering for Gas Turbines and Power-Transactions of the ASME
(2011)
133(9)
Article Number: 091501 (9 pages).
K. Yasunaga, J. M. Simmie, H. J. Curran, T. Koike, O. Takahashi, Y. Kuraguchi and Y. Hidaka
Detailed Chemical Kinetic Mechanisms of Ethyl Methyl, Methyl tert-Butyl, and Ethyl tert-Butyl Ethers: The Importance of Unimolecular Elimination Reactions Combustion and Flame
(2011)
158(6) 1032–1036.
C.K. Westbrook, C.V. Naik, O. Herbinet, W.J. Pitz, M. Mehl, S.M. Sarathy and H.J. Curran
Detailed Chemical Kinetic Reaction Mechanisms for Soy and Rapeseed Biodiesel Fuels Combustion and Flame (2011) 158(4) 742–755.
Chong-Wen Zhou, John. M. Simmie and Henry J. Curran
Rate Constants for Hydrogen-Abstraction by OH
from
n-Butanol Combustion and Flame
(2011)
158(4) 726–731.
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 Fuel
(2011)
90(1)
331–338.
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 Proceedings of the Combustion Institute
(2011)
33
929–937.
M. Mehl, W. J. Pitz, C. K. Westbrook, K. Yasunaga, C. Conroy and H. J. Curran
Autoignition Behaviour of Unsaturated Hydrocarbons in the Low and High Temperature Regions Proceedings of the Combustion Institute
(2011)
33
201–208.
M. Mehl, W. J. Pitz, C. K. Westbrook and H. J. Curran
Kinetic Modelling of Gasoline Surrogate Components and Mixtures under Engine Conditions Proceedings of the Combustion Institute
(2011)
33
193–200.
C. K. Westbrook, W. J. Pitz, M. Mehl and H. J. Curran
Detailed Chemical Kinetic Reaction Mechanisms for Primary Reference Fuels for Diesel Cetane Number and Spark-ignition Octane Number
Proceedings of the Combustion Institute
(2011)
33
185–192.
Z. Serinyel, N. Chaumeix, G. Black, J. M. Simmie and H. J. Curran
Experimental and Chemical Kinetic Modeling Study of 3-Pentanone Oxidation Journal of Physical Chemistry A (2010) 114(46) 12176–12186.
K. Yasunaga, F. Gillespie, J. M. Simmie, H. J. Curran, Y. Kuraguchi, H. Hoshikawa, M. Yamane and Y. Hidaka
A Multiple Shock Tube and Chemical Kinetic Modeling Study of Diethyl Ether Pyrolysis and Oxidation Journal of Physical Chemistry A
(2010)
114(34) 9098–9109.
Y. Yang, A.L. Boehman, J.M. Simmie
Uniqueness in the low temperature oxidation of cycloalkanes Combustion and Flame
(2010)
157(12) 2357–2368.
Y. Yang, A.L. Boehman, J.M. Simmie
Effects of molecular structure on oxidation reactivity of cyclic hydrocarbons: Experimental observations and conformational analysis Combustion and Flame
(2010)
157(12) 2369–2379.
S. Dooley, M. P. Burke, M. Chaos, Y. Stein, F. L. Dryer, V. P. Zhukov, O. Finch, J. M. Simmie, H. J. Curran
Methyl Formate Oxidation: Speciation Data, Laminar Burning Velocities, Ignition Delay Times, and a Validated Chemical Kinetic Model International Journal of Chemical Kinetics,
(2010)
42 527–549.
Z. Serinyel, G. Black, H. J. Curran J. M. Simmie
A Shock Tube and Chemical Kinetic Modelling Study of Methyl Ethyl Ketone Oxidation Combustion Science and Technology
(2010)
182(4) 574–587.
Chong-Wen Zhou, John M. Simmie and Henry J. Curran
An
ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H3COCH3-x(CH3)
x,
x = 0–2, by
OH; mechanism and kinetics Physical Chemistry Chemical Physics
(2010)
12 7221–7233.
Wayne K. Metcalfe, John M. Simmie and Henry J. Curran
Ab Initio Chemical Kinetics of Methyl Formate Decomposition: The Simplest Model Biodiesel
Journal of Physical Chemistry A
(2010)
114(17) 5478–5484.
Jerzy Moc and John M. Simmie
Hydrogen Abstraction from n-Butanol by the Hydroxyl Radical: High Level Ab Initio Study of the Relative Significance of Various Abstraction Channels and the Role of Weakly Bound Intermediates Journal of Physical Chemistry A
(2010)
114(17) 5558–5564.
M. Alzueta, Z. Serinyel, J.M. Simmie, and H.J. Curran
Oxidation of Acetone and Its Interaction with Nitric Oxide Energy and Fuels
(2010)
24(3) 1511–1520.
N. Donato, C. Aul, E. Petersen, C. Zinner, H. Curran, G. Bourque
Ignition and Oxidation of 50/50 Butane Isomer Blends Journal of Engineering for Gas Turbines and Power-Transactions of the ASME
(2010)
132 Article Number: 051502 (9 pages).
D. Healy, N.S. Donato, C.J. Aul, E.L. Petersen, C.M. Zinner, G. Bourque, H.J. Curran
n-Butane Ignition Delay Time Measurements at High Pressure and Detailed Chemical Kinetic Modeling
Combustion and Flame
(2010)
157(8)
1526–1539.
D. Healy, N.S. Donato, C.J. Aul, E.L. Petersen, C.M. Zinner, G. Bourque, H.J. Curran
Isobutane Ignition Delay Time Measurements at High Pressure and Detailed Chemical Kinetic Modeling
Combustion and Flame
(2010)
157(8) 1540–1551.
D. Healy, M.M. Kopp, N.L. Polley, E.L. Petersen, G. Bourque, H.J. Curran
Methane/n-Butane Ignition Delay Measurements at High Pressure and Detailed Chemical Kinetic Simulations Energy and Fuels
(2010)
24(3) 1617–1627.
D. Healy, D.M. Kalitan, C.J. Aul, E.L. Petersen, G. Bourque, H.J. Curran
Oxidation of C1−C5 Alkane Quinternary Natural Gas Mixtures at High Pressures Energy and Fuels
(2010)
24(3) 1521–1528.
G. Bourque, D. Healy, H. Curran, C. Zinner, D. Kalitan, J. de Vries, C. Aul, and E. Petersen
Ignition and Flame Speed Kinetics of Two Natural Gas Blends with High Levels of Heavier Hydrocarbons Journal of Engineering for Gas Turbines and Power-Transactions of the ASME
(2010)
132(2) Article Number: 021504 (11 pages).
G. Black, H. J. Curran, S. Pichon, J.M. Simmie, V. Zhukov
Bio-butanol: Combustion Properties and Detailed Chemical Kinetic Model Combustion and Flame
(2010)
157(1) 363–373.
Gráinne Black and John M. Simmie
Barrier heights for H-atom abstractions by HO2 from n-butanol - A simple yet exacting test for model chemistries?
Journal of Computational Chemistry
(2010)
31(6) 1236–1248.
M.V. Johnson, S.S. Goldsborough, Z. Serinyel, P. O'Toole, E. Larkin, G. O'Malley, H.J. Curran
A Shock Tube Study of n- and iso-Propanol Ignition Energy and Fuels
(2009)
23 5886–5898.
Jerzy Moc, Gráinne Black, John M. Simmie and Henry J. Curran
The unimolecular decomposition and H -abstraction reactions by OH and HO2 from n-butanol, Computational Methods in Science and Engineering, Advances in Computational Science vol. 2, ed. T.E. Simos & G. Maroulis, American Inst. of Physics, pp. 161–164
(2009).
John M. Simmie and Henry J. Curran
Energy Barriers for the Addition of H, CH3, and C2H5 to CH2= CHX [X = H, CH3, OH] and for H -Atom Addition to RCH="O" [R = H, CH3, C2H5, n-C3H7]: Implications for the Gas-Phase Chemistry of Enols Journal of Physical Chemistry A
(2009)
113(27)
7834–7845.
Jerzey Moc, John M. Simmie, Henry J. Curran
The elimination of water from a comformationally complex alcohol: A computational study of the gas phase dehydration of n-butanol Journal of Molecular Structure
(2009)
928 149–157.
John M. Simmie and Henry J. Curran
Formation Enthalpies and Bond Dissociation Energies of Alkylfurans. The Strongest C-X Bonds Known? Journal of Physical Chemistry A
(2009)
113(17) 5128–5137.
Y. J. Wang, C. Ji, A. T. Holley, F. N. Egolfopolous, T. T. Tsotsis, H. J. Curran
Propagation and Extinction of Premixed Dimethyl Ether/Air Flames
Proceedings of the Combustion Institute
(2009) 32(1) 1035–1042.
S. Pichon, G. Black, N. Chaumeix, M. Yahyaoui, H. J. Curran, J. M. Simmie, 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
Combustion and Flame
(2009)
156(2) 494–504.
C. K. Westbrook, W. J. Pitz, O. Herbinet, H. J. Curran, E. J. Silke
A Comprehensive Detailed Chemical Kinetic Mechanism for Combustion of n-Alkane Hydrocarbons from n-Octane to n-Hexadecane Combustion and Flame
(2009)
156(1) 181–199.
W. K. Metcalfe, C. Togbe, P. Dagaut, H. J. Curran, J. M. Simmie
A Jet-Stirred Reactor and Kinetic Modeling Study of Ethyl Propanoate Combustion and Flame
(2009)
156(1) 250–260.
A. M. El-Nahas, J. M. Simmie, M. V. Navarro, J. W. Bozzelli, G. Black, H. J. Curran
Thermochemistry and kinetics of acetonylperoxy radical isomerisation and decomposition: a quantum chemistry and CVT/SCT approach
Phys. Chem. Chem. Phys.
(2008)
10 7139–7149.
D. Healy, H.J. Curran, J.M. Simmie, D.M. Kalitan, C. M. Zinner, A.B. Barrett, E.L. Petersen, and G. Bourque
Methane/Ethane/Propane Mixture Oxidation at High Pressures and at High, Intermediate and Low Temperatures
Combustion and Flame
(2008)
155(3) 441–448.
D. Healy, H.J. Curran, S. Dooley, J.M. Simmie, D.M. Kalitan, E.L. Petersen, and G. Bourque
Methane/Propane Mixture Oxidation at High Pressures and at High, Intermediate and Low Temperatures Combustion and Flame
(2008)
155(3) 451–461.
J. Aguilera-Iparraguirre, H.J. Curran, W. Klopper, J.M. Simmie
Accurate Benchmark Calculation of the Reaction Barrier Height for Hydrogen Abstraction by the Hydroperoxyl Radical from Methane. Implications for CnH2 n+2 where n = 2 -4 Journal of Physical Chemistry A
(2008)
112(30) 7047–7054.
John M. Simmie, Gráinne Black, Henry J. Curran, John P. Hinde
Enthalpies of formation and Bond Dissociation Energies of Lower Alkyl Hydroperoxides and Related Hydroperoxy and Alkoxy Radicals Journal of Physical Chemistry A
(2008)
112(22) 5010–5016.
John Simmie, Wayne K. Metcalfe, Henry J. Curran
Ketene Thermochemistry Chem.Phys.Chem.
(2008)
9(5) 700–702.
S.M. Gallagher, H.J. Curran, W.K. Metcalfe, D. Healy, J.M. Simmie and G. Bourque
A rapid compression machine study of the oxidation of propane in the negative temperature coefficient regime
Combustion and Flame
(2008)
153(1-2) 316–333.
S. Dooley, H.J. Curran, J.M. Simmie
Autoignition measurements and a validated kinetic model for the biodiesel surrogate, methyl butanoate
Combustion and Flame,
(2008)
153(1-2) 2–32.
Rubik Asatryan and Joseph W. Bozzelli John M. Simmie
Thermochemistry of Methyl and Ethyl Nitro, RNO2, and Nitrite, RONO, Organic Compounds. Journal of Physical Chemistry A
(2008)
112(14) 3172–3185.
S. Gaïl, P. Dagaut, G. Black, J. M. Simmie
Kinetics of 1,2-Dimethylbenzene Oxidation and Ignition: Experimental and Detailed Chemical Kinetic Modelling Combustion Science & Technology
(2008)
180 1748–1771.
C.K. Westbrook, W.J. Pitz, H.J. Curran
Autoignition and chemical kinetic mechanisms of HCCI combustion in "HCCI and CAI engines for the automotive industry", ed. H. Zhao, Woodhead Publishing
(2007) ISBN-10: 1-84569-128-8
J. Würmel, E.J. Silke, H.J. Curran , M.S. O'Conaire, J.M. Simmie
The effect of diluent gases on ignition delay times in the shock tube and in the rapid compression machine Combustion and Flame
(2007) 151: 289–302.
R. Asatryan, J. W.Bozzelli, J. M. Simmie,
Thermochemistry for enthalpies and reaction paths of nitrous acid isomers. International Journal of Chemical Kinetics
(2007) 39: 378–398.
W. K. Metcalfe, S. Dooley, H. J. Curran, J. M. Simmie, A. M. El-Nahas and M. V. Navarro
Experimental and Modelling Study of C5H10O2 Ethyl and Methyl Esters Journal of Physical Chemistry A
(2007) 111: 4001–4014.
A. M. El-Nahas, M. V. Navarro, J. M. Simmie, J. W. Bozzelli, H. J. Curran, S. Dooley and W. Metcalfe
Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate Journal of Physical Chemistry A
(2007) 111: 3727–3739.
J. Würmel, J.M. Simmie and H. J. Curran
Studying the chemistry of HCCI in rapid compression machines International Journal of Vehicle Design
(2007) 44: 84–106.
W. J. Pitz, C. V. Naik, T. NÃ Mhaoldoin, H. J. Curran, J P. Orme, J. M. Simmie, C. K. Westbrook
Modelling and Experimental Investigation of Methylcyclohexane Oxidation in a Rapid Compression Machine Proceedings of the Combustion Institute
(2007) 31: 267–275.
W. Metcalfe, W. J. Pitz, H. J. Curran, J P. Orme, J. M. Simmie, C. K. Westbrook
The Development of a Detailed Chemical Kinetic Mechanism for Diisobutylene and Comparison to Shock Tube Ignition Times Proceedings of the Combustion Institute
(2007) 31: 377–384.
E. L. Petersen, D. M. Kalitan, S. Simmons, G. Bourque, H. J. Curran, J. M. Simmie
Methane/Propane Oxidation at High Pressures: Experimental and Detailed Chemical Kinetic Modelling" Proceedings of the Combustion Institute
(2007) 31: 447–454.
Ahmed El-Nahas, Joseph W. Bozzelli, John M. Simmie, Maria V. Navarro, Gráinne Black and Henry J. Curran
Thermochemistry of Acetonyl and Related Radicals Journal of Physical Chemistry A
(2006) 110:13618–13623.
Henry J. Curran
Rate constant estimation for C1 to C4 alkyl and alkoxyl radical decomposition International Journal of Chemical Kinetics
(2006) 38: 250–275.
John Orme, Henry Curran and John Simmie
An Experimental and Modeling Study of Methyl Cyclohexane Pyrolysis and Oxidation Journal of Physical Chemistry A
(2006)
110: 114–131.
C. K. Westbrook, W. J. Pitz, H. J. Curran
Chemical Kinetic Modelling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines Journal of Physical Chemistry A
(2006) 110: 6912–6922.
J.M. Smith, J.M. Simmie and H.J. Curran
Autoignition of heptanes: experiments and modelling International Journal of Chemical Kinetics
(2005) 37: 728–736.
J. Würmel and J.M. Simmie
CFD studies of a twin piston rapid compression machine, Combustion and Flame
(2005) 141: 417–430.
John Simmie, Sébastien Rolland, Evan Ryder
Automatic comparison of thermodynamic data for species in detailed chemical kinetic modelling, (CHEMThermo and structure linking explained), International Journal of Chemical Kinetics
(2005) 37:341–345.
Emma Silke, Henry Curran, John Simmie
The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study, Proceedings of the Combustion Institute
(2005) 30: 2639–2647.
J. Chen, T. A. Litzinger, H. J. Curran
The Lean Oxidation of iso-Octane at Elevated Pressures Society of Automotive Engineers Publication
(2005) SAE-2005-01-3734.
C. V. Naik, W. J. Pitz, C. K. Westbrook, M. Sjberg, J. E. Dec, J. Orme, H. J. Curran, J. M. Simmie
Detailed Chemical Kinetic Modelling of Surrogate Fuels for Gasoline and Application to a HCCI Engine Society of Automotive Engineers Publication
(2005)
SAE-2005-01-3741.
X. L. Zheng, T. F. Lu, C. K. Law, C. K. Westbrook, H. J. Curran
Experimental and Computational Study of Non-Premixed Ignition of Dimethyl Ether in Counterflow Proceedings of the Combustion Institute
(2005) 30: 1101–1109.
O. P. Korobeinichev, V. M. Shvartsberg, A. G. Shmakov, T. A. Bolshova, T. M. Jayaweera, C. F. Melius, W. J. Pitz, C. K. Westbrook, and H. J. Curran
Flame Inhibition by Phosphorous-Containing Compounds in Lean and Rich Propane Flames, Proceedings of the Combustion Institute
(2005) 30: 2350–2357.
Sébastien Rolland, John M. Simmie
The comparison of detailed chemical kinetic mechanisms; forward versus reverse rates with CHEMRev, International Journal of Chemical Kinetics
(2005) 37: 119–125.
T. M. Jayaweera, C. F. Melius, W. J. Pitz, C. K. Westbrook , O. P. Korobeinichev, V. M. Shvartsberg, A. G. Shmakov, I.V. Rybitskaya, and H. J. Curran
Flame Inhibition by Phosphorous-Containing Compounds over a Range of Equivalence Ratios, Combustion and Flame
(2005) 140: 103–115.
Marcus Ó Conaire, Henry J. Curran, John M. Simmie, William J. Pitz, Charles K. Westbrook
A comprehensive modeling study of hydrogen oxidation, International Journal of Chemical Kinetics
(2004) 36: 603–622.
Sébastien Rolland, John M. Simmie
The comparison of detailed chemical kinetic mechanisms; application to the combustion of methane, (CHEMClean and CHEMDiffs explained) International Journal of Chemical Kinetics
(2004) 36: 467–471.
J. M. Simmie
Detailed chemical kinetic models for the combustion of hydrocarbon fuels, Progress in Energy and Combustion Science
(2003)
29: 599–634.
J. MacNamara and J. M. Simmie
Combustion chemistry of pyrrole
, Combustion and Flame
(2003) 133: 231–240.
A. Toland and J. M. Simmie
Ignition of alkyl nitrate-oxygen-argon mixtures in shock waves and comparisons with alkanes and amines, Combustion and Flame
(2003) 132: 556–564.
C.K. Westbrook, W.J. Pitz, J.E. Boercker, H.J. Curran, J.F. Griffiths, C. Mohamed, M. Ribaucour
Detailed chemical kinetic reaction mechanisms for autoignition of isomers of heptane under rapid compression, Proceedings of the Combustion Institute
(2003) 29: 1311–1318.
H.J. Curran, P. Gaffuri, W.J. Pitz, C.K. Westbrook
A comprehensive modeling study of iso-octane oxidation, Combustion and Flame
(2002) 129 (3): 253–280.
M. Meere, B. Gleeson and J. M. Simmie
Modelling gas motion in a rapid compression machine, J Engineering Mathematics
(2002) 1–26.
C. Daly, J. M. Simmie, J. Würmel, and, N. Djebali-Chaumeix and C. Paillard (CNRS-Orléans)
Burning velocities of dimethyl ether in air , Combustion and Flame (2001) 125: 1329–1340.
C. Daly, J. M. Simmie, and, P. Dagaut, M. Cathonnet (CNRS-Orléans)
Oxidation of dimethoxymethane in a jet-stirred reactor, Combustion and Flame (2001) 125: 1106–1117.
L. Brett, J. MacNamara, P. Musch, J. M. Simmie
Simulation of methane autoignition in a rapid compression machine with creviced pistons, Combustion and Flame (2001) 124: 326–329.
J.S. Chen, T.A. Litzinger, H.J. Curran
The diluted stoichiometric oxidation of iso-octane in the intermediate temperature regime at elevated pressures, Combustion Science and Technology (2001) 172: 71–80.
H. J. Curran, E. M. Fisher, P.-A. Glaude, N. M. Marinov, D. W. Layton, W. J. Pitz, C. K. Westbrook, P. F. Flynn, R. P. Durrett, A. O. zur Loye, W. C. Akinyemi and F. L. Dryer
Detailed chemical kinetic modelling of Diesel combustion with oxygenated fuels, Society of Automotive Engineers Publication, SAE-010653 (2001).
M. Ribacour, R. Minetti, L. R. Sochet, H. J. Curran, W. J. Pitz and C. K. Westbrook
Ignition of isomers of pentane; an experimental and modelling study, Proceedings of the Combustion Institute (2001) 28: 1671–1678.
National University of Ireland, Galway, University Road, Galway, Ireland.
Phone: +353 (0)91 493856
Fax: +353 (0)91 525700
E-mail: henry.curran
nuigalway.ie
This page was last updated Thursday, May 16, 2013