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A high-pressure rapid compression machine study of n-propylbenzene ignition
(Elsevier ScienceDirect, 2013-08-28)
This study presents new ignition delay data measured in a rapid compression machine over a wide range temperature, pressure and fuel/air ratio. This data is an extension of that measured previously (D. Darcy, C.J. Tobin, ...
Solid-state transformations of sulfathiazole polymorphs: The effects of milling and humidity
(American Chemical Society, 2013-07-11)
The effect of milling on the transitions of sulfathiazole polymorphs in the absence and presence of solvent and excipients was monitored by X-ray powder diffraction (XRPD), attenuated total reflectance infrared (ATR-IR), ...
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 ...