School of Chemistry journal papers published during 2013 (to date)

R. Coyle, K. Fahey and F. Aldabbagh, Barton esters for initiator-free radical cyclisation with heteroaromatic substitution, Organic and Biomolecular Chemistry, 2013, Advanced Article. DOI Link.

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. DOI Link 

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. DOI Link 

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. DOI Link

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. DOI Link 

J. M. Simmie, K. P. Somers, W. K. Metcalfe, H. 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.  DOI Link 

A. Heufer, J. Bugler, H. 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.  DOI Link 

C.-W. Zhou, S. J. Klippenstein, J. M. Simmie, H. 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. DOI Link 

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. DOI Link  

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. DOI Link 

W. Wang, Z. Li, M. A. Oehlschlaeger, D. Healy, H. J. Curran, S. M. Sarathy, M. Mehl, W. J. Pitz, C. K. Westbrook. An experimental and modeling study of the autoignition of 3-methylheptane. Proceedings of the Combustion Institute. 2013, 34 335–343.  DOI Link  

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. DOI Link 

“Cleaner Combustion”, eds. F. Battin-Leclerc (France), E. Blurock (Sweden) and J. M. Simmie; Springer 2013, pp. 656, ISBN 978-1-4471-5306-1.

P. Friese, J. M. Simmie, M. Olzmann. The reaction of 2,5-dimethylfuran with hydrogen atoms – An experimental and theoretical study. Proc. Combust. Inst. 2013, 34, 233–239. DOI Link

J. M. Simmie, J. Würmel. Harmonising Production, Properties and Environmental Consequences of Liquid Transport Fuels from Biomass—2,5-Dimethylfuran as a Case Study. ChemSusChem., 2013, 6(1), 36-41.  DOI Link.

S. T. Meally, S. M. Taylor, E. K. Brechin, S. Piligkos and L. F. Jones. Homo- and Heterometallic Planes, Chains and Cubanes. Dalton Trans., 2013, DOI: 10.1039/C3DT51131F. 

N. Berg, T. N. Hooper, J. Liu, C. C. Beedle, S. K. Singh, G. Rajaraman, S. Piligkos, S. Hill, E. K. Brechin and L. F. Jones. Synthetic, structural, spectroscopic and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion. Dalton Trans, 2013, 42(1), 207-216. DOI Link

M. C. Hennigan and A. G. Ryder. Quantitative Polymorph Contaminant Analysis in Tablets using Raman and Near Infra-red Spectroscopies. Journal of Pharmaceutical and Biomedical Analysis. 2013, 72, 163-171. DOI Link

M. E. Nash, X. Fan, W. M. Carroll, A. V. Gorelov, F. P. Barry, G. Shaw, Y. A. Rochev. Thermoresponsive Substrates used for the Expansion of Human Mesenchymal Stem Cells and the Preservation of Immunophenotype. Stem Cell Reviews and Reports. 2013, DOI Link.   

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