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An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures
(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 ...
Ignition delay times, laminar flame speeds, and mechanism validation for natural gas/hydrogen blends at elevated pressures
(Elsevier, 2013-12-30)
New experimental ignition delay time data measured in both a shock tube and in a rapid compression machine were taken to determine the increase in reactivity due to the addition of hydrogen to mixtures of methane and natural ...
Theoretical and kinetic study of the hydrogen atom abstraction reactions of esters with HO2 radicals
(American Chemical Society, 2013-10-31)
This work details an ab initio and chemical kinetic study of the hydrogen atom abstraction reactions by the hydroperoxyl radical (HO2) on the following esters: methyl ethanoate, methyl propanoate, methyl butanoate, methyl ...
Autoignition of ethanol in a rapid compression machine
(Elsevier, 2013-12-09)
Ethanol is a renewable source of energy and significant attention has been directed to the development of a validated chemical kinetic mechanism for this fuel. The experimental data for the autoignition of ethanol in the ...
Synthesis, characterization and reactivity of dyad ru-based molecules for light-driven oxidation catalysis
(Wiley, 2013-03-28)
Dyad molecules containing the 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz) ligand with general formula [(tpy)Ru(μ-tppz)Ru(X)(L-L)]n+ (X=Cl, CF3COO, or H2O; L-L=2,2′-bipyridine (bpy) or 3,5-bis(2-pyridyl)pyrazole (Hbpp); ...
Surfactant behaviour of metallacarboranes. A study based on the electrolysis of water
(Royal Society of Chemistry, 2013-11-21)
[3,3′-Co(1,2-C2B9H11)2]−, [1]−, and its chloroderivatives have been described as displaying surfactant/aggregation properties. We have studied their behaviour as electrolytes in the water electrolysis process. The electrolysis ...
How stable are amphiphilic dendrimers at the liquid liquid interface?
(Royal Society of Chemistry, 2013)
By means of molecular dynamics simulations the free energy of adsorption of model dendrimer characterized by monomers of different chemical affinity is predicted as a function of the number and position of the monomers. ...
Detailed emissions prediction for a turbulent swirling nonpremixed flame
(American Chemical Society, 2013-12-28)
This paper describes the validation of a previously described CFD-CRN method (computational fluid dynamics-chemical reactor network) for emissions predictions for the laboratory benchmark TECFLAM S09c flame. It details CFD ...
Morphological transitions in polymer vesicles upon bilayer swelling with small hydrophobic molecules in water
(Royal Society of Chemistry, 2013)
We show that when unilamellar polymer vesicles dispersed in water made from a blockcopolymer, in this case poly((ethylene oxide)45-block-(methyl methacrylate)164), poly((ethylene oxide)45-block-(methyl methacrylate)170), ...