Browsing College of Science by Subject "Chemistry"
Now showing items 21-40 of 93
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Design principles for the formation of ordered patterns in binary mixtures of colloidal particles on spherical droplets
(Elsevier, 2017-03-11)We elucidate the design principles for the formation of ordered structures formed by binary mixtures of particles on spherical surfaces, such as emulsion droplets, polymer vesicles, and col- loidal nanoparticles. Using ... -
A detailed chemical kinetic modeling, ignition delay time and jet-stirred reactor study of methanol oxidation
(Elsevier, 2016-01-29)A shock tube (ST) and a rapid compression machine (RCM) have been used to measure new ignition delay times for methanol oxidation over a wide range of pressures (2-50 atm) and equivalence ratios (0.5, 1.0, and 2.0). These ... -
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 ... -
A discrete P⋅⋅⋅I I⋅⋅⋅P assembly: the large influence of weak interactions on the 31P NMR Spectra of Phosphane–Diiodine Complexes
(Wiley, 2006-02-06)Seeing I to I: The reaction of a weakly coordinating carboranyl phosphane ligand with I2 leads to the formation of an adduct containing the bridging P⋅⋅⋅I[BOND]I⋅⋅⋅P assembly in the solid state (see picture; I purple, P ... -
Effect of substrate geometry on liquid-crystal-mediated nanocylinder-substrate interactions
(American Institute of Physics, 2008)Using classical density functional theory, the liquid crystal (LC)-mediated interaction between a cylindrical nanoparticle and a structured substrate is studied. The surface is structured by cutting a rectangular groove ... -
Effect of surface chemistry on islet amyloid polypeptide conformation
(American Institute of Physics, 2020-09-04)The formation of dense, linear arrays (fibrils) by biomolecules is the hallmark of a number of degenerative diseases, such as Alzheimer s and type-2 diabetes. Protein fibrils have also attracted interest as building blocks ... -
Enhanced photostability of a Ruthenium(II) Polypyridyl Complex under highly oxidizing aqueous conditions by its partial inclusion into a cyclodextrin
(Wiley, 2016-01-08)The complex [Ru(bpy)2L]2+, where bpy=2,2′-bipyridine, L=4-(phenylethynyl)-2,2′-bipyridine, was prepared in its racemic and resolved forms (Δ and Λ). The phenylethynyl unit on the bipyridine for the complex acts as a binding ... -
Experimental and computational examination of anastellin (FnIII1c)-polymer interactions
(Wiley, 2016-10-24)Using a combination of experimental and computational approaches, the interaction between anastellin, a recombinant fragment of fibronectin, and representative biomaterial surfaces has been examined. Anastellin and ... -
An experimental and kinetic modeling study of n-hexane oxidation
(Elsevier, 2015-09-11)Ignition delay times for n-hexane oxidation have been measured in a rapid compression machine (RCM) at stoichiometric conditions and at 15 bar. Due to the high reactivity of n-hexane and non-ideal experimental effects ... -
Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: tri-propylene glycol mono-methyl ether
(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 nitromethane + O2 + N2 ignition in a shock tube
(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 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 ... -
An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways
(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 ... -
From icosahedron to a plane flattening dodecaiodo-dodecaborate by successive stripping of iodine
(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 ... -
Glycoclusters as lectin inhibitors: comparative analysis on two plant agglutinins with different folding as a step towards rules for selectivity
(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
(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 ... -
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. ... -
An ignition delay time and chemical kinetic modeling study of the pentane isomers
(Elsevier, 2016-10-26)Ignition delay times of n-pentane, iso-pentane, and neo-pentane mixtures were measured in two shock tubes and in a rapid compression machine. The experimental data were used as validation targets for the model described ... -
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 ... -
Influence of chemical composition on the fluorescence lifetimes of crude petroleum oils
(Society of Photo-optical Instrumentation Engineers, 2003)Fluorescence based methods are increasingly being used for the analysis of crude oils because they offer high speed, low cost, non-contact, and non-destructive testing options. The fluorescence of crude oils is due to the ...