Browsing School of Chemistry by Author "|~|"
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An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C-3-C-5 aldehydes in shock tubes
Pellucci, Matteo; Somers, Kieran P.; Yasunaga, Kenji; Burke, Ultan; Alessio, Frassoldati; Ranzi, Eliseo; Curran, Henry J.; Faravelli, Tiziano (Elsevier ScienceDirect, 2015-08-24)Due to the increasing interest in the use of biofuels for energy production, it is of great importance to better understand the combustion and thermal decomposition characteristics of species such as aldehydes. These are ... -
Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: tri-propylene glycol mono-methyl ether
Burke, Ultan; Pitz, William J.; Curran, Henry J. (Elsevier, 2015-05-13)Tri-propylene glycol monomethyl ether (TPGME) is an important oxygenated fuel additive that can be used to reduce soot in diesel engines. However, a validated chemical kinetic model that incorporates the low- to high-temperature ... -
An experimental and modeling study of diethyl carbonate oxidation
Nakamura, Hisashi; Curran, Henry J.; Córdoba, Angel Polo; Pitz, William J.; Dagaut, Philippe; Togbé, Casimir; Sarathy, S. Mani; Mehl, Marco; Agudelo, John R.; Bustamante, Felipe (Elsevier ScienceDirect, 2015-01-19)Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion ... -
An experimental and modeling study of nitromethane + O2 + N2 ignition in a shock tube
Nauclér, J.D.; Li, Y.; Nilsson, E.J.K.; Curran, Henry J.; Konnov, A.A. (Elsevier, 2016-09-09)The ignition of nitromethane/O-2/N-2 mixtures was investigated via shock tube experiments in the temperature range 947-1333 K at reflected shock pressures near 8, 16 and 32 atm. The ignition was recorded as the intensity ... -
An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors
Burke, Sinéad M.; Metcalfe, Wayne; Herbinet, Olivier; Battin-Leclerc, Frédérique; Haas, Francis M.; Santner, Jeffrey; Dryer, Frederick L.; Curran, Henry J. (Elsevier ScienceDirect, 2014-06-20)Propene is a significant component of Liquefied Petroleum Gas (LPG) and an intermediate in the combustion of higher order hydrocarbons. To better understand the combustion characteristics of propene, this study and its ... -
An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements
Burke, Sinéad M.; Burke, Ultan; Mc Donagh, Reuben; Mathieu, Olivier; Osorio, Irmis; Keesee, Charles; Morones, Anibal; Petersen, Eric L.; Wang, Weijing; DeVerter, Trent A.; Oehlschlaeger, Matthew A.; Rhodes, Brandie; Hanson, Ronald K.; Davidson, David F.; Weber, Bryan W.; Sung, Chih-Jen; Santner, Jeffrey; Ju, Yiguang; Haas, Francis M.; Dryer, Frederick L.; Volkov, Evgeniy N.; Nilsson, Elna J. K.; Konnov, Alexander A.; Alrefae, Majed; Khaled, Fethi; Farooq, Aamir; Dirrenberger, Patricia; Glaude, Pierre-Alexandre; Battin-Leclerc, Frédérique; Curran, Henry J. (Elsevier ScienceDirect, 2014-09-11)Experimental data obtained in this study (Part II) complement the speciation data presented in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental ignition delay time (IDT) and ... -
An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures
Nakamura, Hisashi; Darcy, Daniel; Mehl, Marco; Tobin, Colin J.; Metcalfe, Wayne K.; Pitz, William J.; Westbrook, Charles K.; Curran, Henry J. (Elsevier, 2013-08-28)In our previous work (D. Darcy, C.J. Tobin, K. Yasunaga, J.M. Simmie, J. Wurmel, W.K. Metcalfe, T. Niass, S.S. Ahmed, C.K. Westbrook, H.J. Curran, Combust. Flame 159 (2012) 2219-2232), ignition delay times of n-butylbenzene ... -
An experimental and modeling study of surrogate mixtures of n-propyl- and n-butylbenzene in n-heptane to simulate n-decylbenzene ignition
Darcy, D,Nakamura, H,Tobin, CJ,Mehl, M,Metcalfe, WK,Pitz, WJ,Westbrook, CK,Curran, HJ; Darcy, Daniel; Nakamura, Hisashi; Tobin, Colin J.; Mehl, Marco; Metcalfe, Wayne K.; Pitz, William J.; Westbrook, Charles K.; Curran, Henry J. (Elsevier ScienceDirect, 2014-01-11)This paper presents experimental data for the oxidation of two surrogates for the large alkylbenzene class of compounds contained in diesel fuels, namely n-decylbenzene. A 57:43 molar% mixture of n-propylbenzene:n-heptane ... -
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
Darcy, Daniel; Mehl, Marco; Simmie, John M.; Würmel, Judith; Westbrook, Charles K.; Pitz, William J. (Elsevier ScienceDirect, 2012-07-11)Alkyl aromatics are an important chemical class in gasoline, jet and diesel fuels. In the present work, an n-propylbenzene and n-heptane mixture is studied as a possible surrogate for large alkyl benzenes contained in ... -
An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways
Bugler, John; Rodriguez, Anne; Herbinet, Olivier; Battin-Leclerc, Frédérique; Togbé, Casimir; Dayma, Guillaume; Dagaut, Philippe; Curran, Henry J. (Elsevier, 2016-06-16)Two jet-stirred reactors (JSRs) coupled to gas chromatographic and spectroscopic techniques have been utilised to detect chemical species evolved during n -pentane oxidation at 1 and 10 atm, in the temperature range 500-1100 ... -
An extensive experimental and modeling study of 1-butene oxidation
Li, Yang; Zhou, Chong-Wen; Curran, Henry J. (Elsevier, 2017-04-13)In this study, a series of ignition delay time (IDT) experiments of 1-butene were performed in a high-pressure shock tube (HPST) and in a rapid compression machine (RCM) under conditions of relevance to practical combustors. ... -
A F-bridged Mn(II) molecular square
Meally, Sean T.; McArdle, Patrick; Ryder, Alan G.; Jones, Leigh F. (RSC, 2009-10-08)We report on a tetranuclear Mn(II) complex possessing a F-bridged molecular square topology directed by 1,10-phenanthroline ligands. -
A fluorescence anisotropy method for measuring protein concentration in complex cell culture media
Groza, RC,Calvet, A,Ryder, AG; Groza, Radu Constantin; Calvet, Amandine; Ryder, Alan G. (Elsevier, 2014-03-12)The rapid, quantitative analysis of the complex cell culture media used in biopharmaceutical manufacturing is of critical importance. Requirements for cell culture media composition profiling, or changes in specific analyte ... -
Fluorescence lifetime based pH sensing using Resorufin
Ryder, Alan G.; Power, Sarah; Glynn, Thomas J. (2003)Accurate, non-contact pH sensing is of particular importance in the biological and clinical sciences. Fluorescence lifetime based pH sensing is potentially more useful than intensity based methods because of the reduced ... -
Formation, physical stability, and quantification of process-induced disorder in cryomilled samples of a model polymorphic drug
Hu, Yun; MacFhionnghaile, Pól; Caron, Vincent; Tajber, Lidia; Healy, Anne Marie; Erxleben, Andrea; McArdle, Patrick (Elsevier, 2012-10-09)The formation and physical stability of amorphous sulfathiazole obtained from polymorphic forms I and III by cryomilling was investigated by X-ray powder diffraction (XRPD) and near-infrared (NIR) spectroscopy. Principal ... -
Frequency domain fluorescence lifetime study of crude petroleum oils
Owens, Peter; Ryder, Alan G.; Blamey, Nigel J. (Springer Verlag, 2008-02-01)Frequency domain (FD) fluorescence lifetime data was collected for a series of 20 crude petroleum oils using a 405 nm excitation source and over a spectral range of similar to 426 to similar to 650 nm. Average fluorescence ... -
From icosahedron to a plane flattening dodecaiodo-dodecaborate by successive stripping of iodine
Farràs, Pau; Vankova, Nina; Zeonjuk, Lei Liu; Warneke, Jonas; Dülcks, Thomas; Heine, Thomas; Viñas, Clara; Teixidor, Francesc; Gabel, Detlef (Wiley, 2012-09-07)It has been shown by electrospray ionization–ion-trap mass spectrometry that B12I122− converts to an intact B12 cluster as a result of successive stripping of single iodine radicals or ions. Herein, the structure and ... -
Ga-III Complexes as Models for the M-III Site of Purple Acid Phosphatase: Ligand Effects on the Hydrolytic Reactivity Toward Bis(2,4-dinitrophenyl) phosphate
Erxleben, Andrea; Coleman, Fergal; Hynes, Michael (2010)The effects of a series of Galli complexes with tripodal ligands on the hydrolysis rate of the activated phosphate diester bis(2,4-dinitrophenyl)phosphate (BDNPP) have been investigated. In particular, the influence of the ... -
Glycoclusters as lectin inhibitors: comparative analysis on two plant agglutinins with different folding as a step towards rules for selectivity
O'Sullivan, Shane; Murphy, Paul V.; Gabius, Hans-Joachim; Sabine, Sabine (Elsevier, 2015-09-23)The emerging physiological significance of carbohydrate (glycan) protein (lectin) recognition engenders the interest to design synthetic inhibitors with a high level of selectivity among natural sugar receptors. Plant ... -
H2 generation and sulfide to sulfoxide oxidation in H2O using sunlight with a model photoelectrosynthesis cell
Farràs, Pau; Di Giovanni, Carlo; Clifford, John Noel; Palomares, Emilio; Llobet, Antoni (Elsevier, 2014-10-28)A summary of the recent advances in homogeneous light-driven catalytic oxidation reactions is provided either using sacrificial agents or with complete functional cells. In this work, a photoelectrosynthesis model cell ...