Source: http://c3.nuigalway.ie/combustionchemistrycentre/publications/
Timestamp: 2019-04-20 01:18:57+00:00

Document:
K.P. Somers, R.F. Cracknell, H.J. Curran A chemical kinetic interpretation of the octane appetite of modern gasoline engines Proc. Combust. Inst. 37 (2019) 4857–4864.
U.A. Burke, R. Shahla, P. Dagaut, G. Dayma, C. Togbé, K.P. Somers, H.J. Curran Species measurements of the particulate matter reducing additive tri-propylene glycol monomethyl ether Proc. Combust. Inst. 37 (2019) 1257–1264.
K. Zhang, N. Lokachari, E. Ninnemann, S. Khanniche, W.H. Green, H.J. Curran, S. Vasu, W.J. Pitz An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone Proc. Combust. Inst. 37 (2019) 657–665.
N. Lokachari, U. Burke, A. Ramalingam, M. Turner, K. Somers, E. Petersen, K.A. Heufer, H.J. Curran New experimental insights into acetylene oxidation through novel ignition delay times, laminar burning velocities and chemical kinetic modelling Proc. Combust. Inst. 37 (2019) 583–591.
A. Ahmed, W.J. Pitz, C. Cavallotti, M. Mehl, N. Lokachari, E.J.K. Nilsson, J-Y. Wang, A.A. Konnov, S.W. Wagnon, B. Chen, Z. Wang, H.J. Curran, S.J. Klippenstein, W.L. Roberts, S.M. Sarathy Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate Proc. Combust. Inst. 37 (2019) 419–428.
H.J. Curran Developing detailed chemical kinetic mechanisms for fuel combustion Proc. Combust. Inst. 37 (2019) 57–81.
O. Mathieu, C.R. Mulvihill, E.L. Petersen, H.J. Curran NOX-hydrocarbon kinetics model validation using measurements of H2O in shock-heated CH4/C2H6 mixtures with NO2 as oxidant J. Eng. Gas Turbines Power (2019) 141(12) Article No. 041007 (8 pages).
Z. Malliotakis, C. Banyon, K. Zhang, S. Wagnon, J. Juan Rodriguez Henriquez, G. Vourliotakis, C. Keramiotis, M. Founti, F. Mauss, W.J. Pitz, H.J. Curran Testing the validity of a mechanism describing the oxidation of binary n-heptane/toluene mixtures at engine operating conditions Combustion and Flame 199 (2019) 241–248.
C-W. Zhou, Y. Li, U. Burke, C. Banyon, K.P. Somers, S. Khan, J.W. Hargis, T. Sikes, E.L. Petersen, M. AlAbbad, A. Farooq, Y. Pan, Y. Zhang, Z. Huang, J. Lopez, Z. Loparo, S.S. Vasu, H.J. Curran An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements Combustion and Flame 197 (2018) 423–438.
Y. Li, H.J. Curran An extensive theoretical study of the thermochemical properties of unsaturated hydrocarbons, allylic and super-allylic radicals: the development and optimization of group additivity values Journal of Physical Chemistry A 122 (20) (2018) 4736–4749.
M.K. Ghosh, M.S. Howard, Y. Zhang, K. Djebbi, G. Capriolo, A. Farooq, H.J. Curran, S. Dooley The combustion kinetics of the lignocellulosic biofuel, ethyl levulinate Combustion and Flame 193 (2018) 157–169.
K.P. Somers, H.J. Curran, U. Burke, C. Banyon, H.M. Hakka, F. Battin-Leclerc, P.-A. Glaude, R.F. Cracknell, S. Wakefield The importance of endothermic pyrolysis reactions in the understanding of diesel spray combustion Fuel 224 (2018) 302–310.
W.A. Kopp, L.C. Kröger, M. Döntgen, S. Jacobs, U. Burke, H.J. Curran, K.A. Heufer, K. Leonhard Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions Combustion and Flame 189 (2018) 433–442.
C. Banyon, J. Rodriguez Henriquez, G. Paterakis, Z. Malliotakis, K. Souflas, C. Keramiotis, G. Vourliotakis, F. Mauss, H. Curran, G. Skevis, P. Koutmos, M. Founti A comparative study of varied in-cylinder reaction environments on swirl flame geometry and luminescence intensity Fuel 216 (2018) 826–834.
Y. Zhang, H. El-Merhubi, B. Lefort, L. Le Moyne, H.J. Curran, A. Kéromnès Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether Combustion and Flame 190 (2018) 74–86.
K. Alexandrino, M.U. Alzueta, H.J. Curran An experimental and modelling study of the ignition of dimethyl carbonate in shock tubes and in a rapid compression machine Combustion and Flame 188 (2018) 212–222.
Y. Li, S.J. Klippenstein, C-W. Zhou, H.J. Curran Theoretical kinetics for Ḣ atom addition to 1,3-butadiene and related reactions on the Ċ4H7 potential energy surface Journal of Physical Chemistry A (2017) 121(40) 7433–7445.
C. Lee, A. Ahmed, E.F. Nasir, J. Badra, G. Kalghatgi, S.M. Sarathy, H.J. Curran, A. Farooq Autoignition characteristics of oxygenated gasolines Combustion and Flame 186 (2017) 114–128.
C. Olm, T. Varga, É. Valkó, H.J. Curran, T. Turányi Development of an optimized methanol combustion mechanism Combustion and Flame 186 (2017) 45–64.
K. Yasunaga, H. Yamada, H. Oshita, K. Hattori, Y. Hidaka, H. Curran Pyrolysis of n-pentane, n-hexane and n-heptane in a single pulse shock tube Combustion and Flame 185 (2017) 335–345.
M.J. Al Rashidi, J.C. Mármol, C. Banyon, M.B. Sajid, M. Mehl, W.J. Pitz, J. Zádor, S. Mohamed, A. Alfazazi, T. Lu, H.J. Curran, A. Farooq, S.M. Sarathy Cyclopentane Combustion. Part II. Ignition Delay Measurements and Mechanism Validation Combustion and Flame 183 (2017) 372–385.
S.S. Goldsborough, S. Hochgreb, G. Vanhove, M.S. Wooldridge, H.J. Curran, C-J. Chen Advances in rapid compression machine studies of low- and intermediate-temperature autoignition phenomena Progress in Energy and Combustion Science 63 (2017) 1–78.
A.K. Ramalingam, K. Zhang, A. Dhongde, S. Lauer, H.J. Curran, A.K. Heufer An RCM Experimental and Modeling Study of CH4 and CH4/C2H6 Oxidation at Pressures up to 160 bar Fuel 206 (2017) 325–333.
Y. Zhang, O. Mathieu, E.L. Petersen, G. Bourque, H.J. Curran Assessing the Predictions of a NOx Kinetic Mechanism using Recent Hydrogen and Syngas Experimental Data Combustion and Flame 182 (2017) 122–141.
Y. Li, C-W. Zhou, H.J. Curran An Extensive Experimental and Modeling Study of 1-Butene Oxidation Combustion and Flame 181 (2017) 198–213.
C.-W. Zhou, J.M. Simmie, K.P. Somers, H.J. Curran Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by3O2; Implications for Combustion Modelling and Simulation Journal of Physical Chemistry A 121(9) (2017) 1890–1899.
N. Atef, G. Kukkadapu, S.Y. Mohamed, M. Al Rashidi, C. Banyon, M. Mehl, A. Heufer, E.F. Nasir, A. Alfazazia, A.K. Das, C.K. Westbrook, W.J. Pitz, T. Lu, A. Farooq, C-J. Sung, H.J. Curran, S.M. Sarathy A Comprehensive iso-Octane Combustion Model with Improved Thermochemistry and Chemical Kinetics Combustion and Flame 178 (2017) 111–134.
R. Tripathi, C. Lee, R.X. Fernandes, H. Olivier, H.J. Curran, S.M. Sarathy, H. Pitsch Ignition characteristics of 2-methyltetrahydrofuran: An experimental and kinetic study Proceedings of the Combustion Institute 36(1) (2017) 587–595.
J. Bugler, A. Rodriguez, O. Herbinet, F. Battin-Leclerc, P. Dagaut, H.J. Curran Experiments and Modelling of n-Pentane Oxidation in Two Jet-Stirred Reactors Proceedings of the Combustion Institute 36(1)(2017) 441–448.
Y. Zhang, K.P. Somers, M. Mehl, W.J. Pitz, R.F. Cracknell, H.J. Curran Probing the Antagonistic Effect of Toluene as a Component in Surrogate Fuel Models at Low Temperatures and High Pressures. A Case Study of Toluene/Dimethyl Ether Mixtures Proceedings of the Combustion Institute 36(1) (2017) 413–421.
Y. Li, C-W. Zhou, K.P. Somers, K. Zhang, H.J. Curran The Oxidation of 2-Butene: A High Pressure Ignition Delay, Kinetic Modeling Study and Reactivity Comparison with Isobutene and 1-Butene Proceedings of the Combustion Institute 36(1) (2017) 403–411.
J. Bugler, J. Power, H.J. Curran A Theoretical Study of Cyclic Ether Formation Reactions Proceedings of the Combustion Institute 36(1) (2017) 161–167.
L. Cai, H. Pitsch, S.Y. Mohamed, V. Raman, J. Bugler, H. Curran, S.M. Sarathy Optimized reaction mechanism rate rules for ignition of normal alkanes Combustion and Flame 173 (2016)468–482.
J.D. Nauclér, Y. Li, E.J.K. Nilsson, H.J. Curran, A.A. Konnov An experimental and modeling study of nitromethane+O2+N2 ignition in a shock tube Fuel 186 (2016) 629–638.
C.-W. Zhou, J.M. Simmie, W.J. Pitz, H.J. Curran Towards the Development of a Fundamentally-based Chemical Model for Cyclopentanone: High Pressure Limit Rate Constants for H-atom Abstraction and Fuel Radical Decomposition Journal of Physical Chemistry A 120(36) (2016) 7037–7044.
J. Bugler, K.P. Somers, J.M. Simmie, F. Güthe, H., J. Curran Modeling Nitrogen Species as Pollutants: Thermochemical Influences Journal of Physical Chemistry A 120(36) (2016) 7192–7197.
K. Zhang, C. Banyon, J. Bugler, H.J. Curran, A. Rodriguez, O. Herbinet, F. Battin-Leclerc, C. B’Chir, K.A. Heufer An updated experimental and kinetic modeling study of n-heptane oxidation Combustion and Flame 172 (2016) 116–135.
T. Javed, C. Lee, M. AlAbbad, K. Djebbi, M. Beshir, J. Badra, H. Curran, A. Farooq Ignition studies of n-heptane/iso-octane/toluene blends Combustion and Flame 171 (2016) 223–233.
T. Varga, C. Olm, T. Nagy, I. G. Zsély, É. Valkó, R. Pálvölgyia, H.J. Curran, T. Turányi Development of a joint hydrogen and syngas combustion mechanism based on an optimization approach International Journal of Chemical Kinetics 48(8) (2016) 407–422.
S.Y. Mohamed, L.M. Cai, F. Khaled, C. Banyon, Z.D. Wang, M.J. Al Rashidi, H. Pitsch, H.J. Curran, A. Farooq, S.M. Sarathy Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetics, and Rate Rule Optimizations for 2-Methylhexane Journal of Physical Chemistry A 120 (2016) 2201–2217.
F. Deng, F. Yang, P. Zhang, Y. Pan, J. Bugler, H. Curran, Y. Zhang Towards a Kinetic Understanding of the NOx Promoting-Effect on Ignition of Coalbed Methane: A Case Study of Methane/Nitrogen Dioxide mixtures Fuel 181 (2016) 188–198.
C-W. Zhou, Y. Li, E. O'Connor, K.P. Somers, S. Thion, C. Keesee, O. Mathieu, E.L. Petersen, T. A. DeVerter, M.A. Oehlschlaeger, G. Kukkadapu, C-J. Sung, M. Alrefae, F. Khaled, A. Farooq, P. Dirrenberger, P-A. Glaude, F. Battin-Leclerc, J. Santner, Y. Ju, T. Held, F.M. Haas, F.L. Dryer, H.J. Curran A Comprehensive experimental and modeling study of isobutene oxidation Combustion and Flame 167 (2016) 353–379.
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 Combustion and Flame 165 (2016) 25–136.
J. Bugler, B. Marks, O. Mathieu, R. Archuleta, A. Camou, C. Grégoire, K.A. Heufer, E.L. Petersen, H.J. Curran An Ignition Delay Time and Chemical Kinetic Modelling Study of the Pentane Isomers Combustion and Flame 163(1)(2016)136–156.
S. Yousefian, F. Gauthier, A. Morán-Guerrero, R.R. Richardson, H.J. Curran, N.J. Quinlan, R.F.D. Monaghan A simplified approach to the prediction and analysis of temperature inhomogeneity in rapid compression machines Energy and Fuels 29(12) (2015) 8216–8225.
K. Zhang, C. Banyon, C. Togbé, P. Dagaut, J. Bugler, H.J. Curran An experimental and kinetic modelling study of n-Hexane oxidation Combustion and Flame 162(11) (2015) 4194–4207.
J.S. Heyne, S. Dooley, Z. Serinyel, F.L. Dryer, H. Curran Decomposition studies of isopropanol in a variable pressure flow reactor Zeitschrift Fur Physikalische Chemie 229(6) (2015) 881–907.
U. Burke, W.J. Pitz, H.J. Curran Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: Tri-propylene glycol mono-methyl ether Combustion and Flame 162(7) (2015) 2916–2927.
J. Bugler, K.P. Somers, E.J. Silke, H.J. Curran Revisiting the Kinetics and Thermodynamics of the Low-Temperature Oxidation Pathways of Alkanes: A Case Study of the Three Pentane Isomers Journal of Physical Chemistry A 119(28) (2015) 7510–7527.
C.K. Westbrook, W.J. Pitz, M. Mehl, P-A. Glaude, O. Herbinet, S. Bax, F. Battin-Leclerc, O. Mathieu, E.L. Petersen, J. Bugler, H.J. Curran An Experimental and Kinetic Modeling Study of 2-Methyl-2-Butene: Allylic Hydrocarbon Kinetics Journal of Physical Chemistry A 119(28) (2015) 7462–7480.
C. Olm, I. Gy. Zsély, T. Varga, H.J. Curran, T. Turányi Comparison of the performance of several recent syngas combustion mechanisms Combustion and Flame 162(5) (2015)1793–1812.
H. Nakamura, H.J. Curran, A.P. Córdoba, W.J. Pitz, P. Dagaut, C. Togbé, S.M. Sarathy, M. Mehl, J.R. Agudelo, F. Bustamante An experimental and modelling study of diethyl carbonate oxidation Combustion and Flame 162(4) (2015) 1395–1405.
N. Donohoe, A. Heufer, C. Aul, E.L. Petersen, G. Bourque, R. Gordon, H.J. Curran Influence of steam dilution on the ignition of hydrogen, syngas, and natural gas blends at elevated pressures Combustion and Flame 162(4) (2015) 1126–1135.
T. Varga, T. Nagy, C. Olm, I. Gy. Zsély, R. Pálvölgyi, E. Valkó, G. Vincze, M. Cserháti, H.J. Curran, T. Turányi Optimization of a hydrogen combustion mechanism using both direct and indirect measurements Proceedings of the Combustion Institute (2015) 35 589–596.
S.M. Burke, J.M. Simmie, H.J. Curran Critical Evaluation of Thermochemical Properties of C1–C4 Species: Updated Group-Contributions to Estimate Thermochemical Properties Journal of Physical Chemistry Reference Data 44 (2015) 013101.
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 Combustion and Flame 162(2) (2015) 315–330.
M. Pelucchi, K.P. Somers, K. Yasunaga, U. Burke, A. Frassoldati, E. Ranzi, H.J. Curran, T. Faravelli An Experimental and Kinetic Modeling Study of the Pyrolysis and Oxidation of n-C3–C5 Aldehydes in a Shock Tube Combustion and Flame 162(2) (2015) 265–286.
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 162(2) (2015) 296–314.
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 Combustion and Flame 161(11) (2014) 2765–2784.
C. Olm, I. Gy. Zsély, R. Pálvölgyi, T. Varga, T. Nagy, H.J. Curran, T. Turányi Comparison of the performance of several recent hydrogen combustion mechanisms Combustion and Flame (2014) 161(9)2219–2234.
Chih-Jen Sung, Henry J. Curran Using Rapid Compression Machines for Chemical Kinetic Studies Progress in Energy and Combustion Science 44 (2014) 1–18.
Jorge Mendes, Chong-Wen Zhou, Henry J. Curran Theoretical Rate Constant Calculations of H-Atom Abstraction Reactions from Esters by OH Radicals Journal of Physical Chemistry A 118(8) (2014) 4889–4899.
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 2: Chemical Kinetics Journal of Propulsion and Power 30(3) (2014) 799–811.
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 Journal of Propulsion and Power 30(3) (2014) 790–798.
R.F.D. Monaghan, R. Tahir, G. Bourque, R.L. Gordon, A. Cuoci, T. Faravelli, A. Frassoldati, H.J. Curran Detailed Emissions Prediction for a Turbulent Swirling Non-Premixed Flame Energy and Fuels 28(2) (2014) 1470–1488.
D. Darcy, H. Nakamura, C.J. Tobin, M. Mehl, W.K. Metcalfe, W.J. Pitz, C.K. Westbrook, H.J. Curran An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition Combustion and Flame 161(6) (2014) 1460–1473.
S.M. Sarathy, T. Javed, F. Karsenty, A. Heufer, W. Wang, S. Park, A. Elwardani, A. Farooq, C.K. Westbrook, W.J. Pitz, M.A. Oehlschlaeger, G. Dayma, H.J. Curran, P. Dagaut Comprehensive experimental and kinetic modeling study of 2,5-dimethylhexane, an iso-paraffinic surrogate for transportation fuels Combustion and Flame 161(6) (2014) 1444–1459.
N. Donohoe, A. Heufer, W.K. Metcalfe, H.J. Curran, M.L. Davis, O. Mathieu, D. Plichta, A. Morones, E.L. Petersen, F. Güthe Ignition delay times, laminar flame speeds, and mechanism validation for natural gas/hydrogen blends at elevated pressures Combustion and Flame 161(6) (2014) 1432–1443.
Jorge Mendes, Chong-Wen Zhou, Henry J. Curran Rate Constant Calculations of H-Atom Abstraction Reactions from Ethers by HO2 Radicals Journal of Physical Chemistry A 118(8) (2014) 1300–1308.
G. Mittal, S.M. Burke, V.A. Davies, B. Parajuli, W.K. Metcalfe, H.J. Curran Autoignition of ethanol in a rapid compression machine Combustion and Flame 161(5) (2014) 1164–1171.
Kieran P. Somers, John M. Simmie, Wayne K. Metcalfe, Henry J. Curran The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study Physical Chemistry Chemical Physics 16 (2014) 5349–5367.
O. Mathieu, E.L. Petersen, A. Heufer, N. Donohoe, W. Metcalfe, H.J. Curran, F. Güthe, G. Bourque Numerical Study on the Effect of Real Syngas Compositions on Ignition Delay Times and Laminar Flame Speeds at Gas Conditions Journal of Engineering for Gas Turbines and Power 136(1) (2014) Article No. 011502.
D. Darcy, H. Nakamura, C.J. Tobin, M. Mehl, W.K. Metcalfe, W.J. Pitz, C.K. Westbrook, H.J. Curran A high-pressure rapid compression machine study of n-propylbenzene ignition Combustion and Flame 161(1) (2014) 65–74.
H. Nakamura, D. Darcy, M. Mehl, C.J. Tobin, W.K. Metcalfe, W.J. Pitz, C.K. Westbrook, H.J. Curran An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures Combustion and Flame 161(1) (2014) 49–64.
W.K. Metcalfe, S.M. Burke, S.S. Ahmed, H.J. Curran A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels International Journal of Chemical Kinetics (2013) 45 (10) 638–675.
J.M. Simmie, K.P. Somers, K. Yasunaga, H.J. Curran A Quantum Chemical Study of the Abnormal Reactivity of 2-Methoxyfuran International Journal of Chemical Kinetics (2013) 45 (8) 531–541.
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 Journal of Physical Chemistry A (2013) 117(22) 4526–4533.
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 Journal of Physical Chemistry A (2013) 117(22) 4515–4525.
K.P. Somers, J.M. Simmie, F. Gillespie, C. Conroy, G. Black, W.K. Metcalfe, F. Battin-Leclerc, P. Dirrenberger, O. Herbinet, P.-A. Glaude, P. Dagaut, C. Togbe, K. Yasunaga, R.X. Fernandes, C. Lee, R. Tripathi, H.J. Curran A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation Combustion and Flame (2013) 160 2291–2318.
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.
Jorge Mendes, Chong-Wen Zhou and Henry J. Curran Theoretical and Kinetic Study of the Hydrogen Atom Abstraction Reactions of Esters with HO2 Radicals. Journal of Physical Chemistry A (2013) 117(51) 14006–14018.
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.
Karl Alexander Heufer, S. Mani Sarathy, Henry J. Curran, Alexander Cory Davis, Charles K. Westbrook, and William J. Pitz A detailed chemcial kinetic modeling study of n-pentanol oxidation Energy and Fuels (2012) 26(11) 6678–6685.
Taku Tsujimura, William J. Pitz, Fiona Gillespie, Henry J. Curran, Bryan W. Weber, Yu Zhang, and Chih-Jen Sung Development of isopentanol reaction mechanism reproducing autoignition character at high and low temperatures Energy and Fuels (2012) 26(8) 4871–4886. 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. CurranA 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.
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.

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