School of Chemistry (Scholarly Articles)
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Experimental and kinetic modeling study of 3-Methyl-2-butenol (Prenol) oxidation
(American Chemical Society, 2021-08-19)Longer chain alcohols with 4–5 carbon atoms are attractive alternative fuels as they can be derived from biological sources and since their combustion leads to lower exhaust gas levels of NOx and soot compared to commercial ... -
Development of multipurpose skeletal core combustion chemical kinetic mechanisms
(American Chemical Society, 2021-03-25)Core combustion kinetic mechanisms for small C0¿C4 fuel molecules are not only of the utmost importance in understanding their individual combustion properties but are also the foundation for the development of kinetic ... -
The impact of the third O2 addition reaction network on ignition delay times of neo-pentane
(Elsevier, 2020-08-27)We studied the oxidation of neo-pentane by combining experiments, theoretical calculations, and mechanistic developments to elucidate the impact of the 3rd O2 addition reaction network on ignition delay time predictions. ... -
A kinetics and dynamics study on the auto-ignition of dimethyl ether at low temperatures and low pressures
(Elsevier, 2020-09-14)Though the combustion chemistry of dimethyl ether (DME) has been widely investigated over the past decades, there remains a dearth of ignition data that examines the low-temperature, low-pressure chemistry of DME. In this ... -
Hierarchical study of the reactions of hydrogen atoms with alkenes: A theoretical study of the reactions of hydrogen atoms with C2–C4 alkenes
(American Chemical Society, 2021-06-08)The present study complements our previous studies of the reactions of hydrogen atoms with C5 alkene species including 1- and 2-pentene and the branched isomers (2-methyl-1-butene, 2-methyl-2-butene, and 3-methyl-1-butene), ... -
An experimental and kinetic modeling study of the auto-ignition of natural gas blends containing C1–C7 alkanes
(Elsevier, 2020-07-16)Ignition delay time measurements for multi-component natural gas mixtures were carried out using a rapid compression machine at conditions relevant to gas turbine operation, at equivalence ratios of 0.5–2.0 in ‘air’ in the ... -
An experimental and kinetic modeling study of the ignition delay characteristics of binary blends of ethane/propane and ethylene/propane in multiple shock tubes and rapid compression machines over a wide range of temperature, pressure, equivalence ratio, and dilution
(Elsevier, 2021-03-02)In this work, the ignition delay time characteristics of C2 – C3 binary blends of gaseous hydrocarbons including ethylene/propane and ethane/propane are studied over a wide range of temperatures (750 – 2000 K), pressures ... -
Understanding the antagonistic effect of methanol as a component in surrogate fuel models: A case study of methanol/n-heptane mixtures
(Elsevier, 2021-01-19)Methanol is a widely used engine fuel, blend component, and additive. However, no systematic auto-ignition data or laminar flame speed measurements are available for kinetic studies of the effect of methanol as a blending ... -
A fundamental study on the pyrolysis of hydrocarbons
(Elsevier, 2021-07-10)A newly developed detailed chemical kinetic mechanism, NUIGMech1.1, is used to study the pyrolysis of C1 ¿ C7 hydrocarbons at a constant initial fuel concentration in the temperature range 900 ¿ 2000 K. We observe that, ... -
A comprehensive experimental and kinetic modeling study of 1-hexene
(Elsevier, 2021-06-13)It is important to understand the low-temperature chemistry of 1-hexene as it is used as a representative alkene component in gasoline surrogate fuels. Ignition delay times (IDTs) of 1-hexene measured in rapid compression ... -
An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions
(Elsevier, 2021-07-27)Allene and propyne are important intermediates in the pyrolysis and oxidation of higher hydrocarbon fuels, and they are also a major source of propargyl radical formation, which can recombine into different C 6 H 6 isomers ... -
A single pulse shock tube study of pentene isomer pyrolysis
(Elsevier, 2020-08-02)A single-pulse shock tube study of the four pentene isomers is carried out at 2¿±¿0.16¿bar and 900¿1600¿K. C1 to C6 species profiles were recorded using gas chromatography mass spectrometry analyses. The species are ... -
A comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene
(Elsevier, 2020-09-23)A comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene has been performed using ignition delay time (IDT) measurements from both a high-pressure shock tube and a rapid compression machine, at an ... -
A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne
(Elsevier, 2020-09-15)To improve our understanding of the combustion characteristics of propyne, new experimental data for ignition delay times (IDTs), pyrolysis speciation profiles and flame speed measurements are presented in this study. IDTs ... -
A comprehensive experimental and modeling study of the ignition delay time characteristics of ternary and quaternary blends of methane, ethane, ethylene, and propane over a wide range of temperature, pressure, equivalence ratio, and dilution
(Elsevier, 2021-08-09)The ignition delay time (IDT) characteristics of new ternary and quaternary blended C 1 ¿C 3 gaseous hy- drocarbons, including methane/ethane/ethylene and methane/ethane/ethylene/propane, are studied over a wide range of ... -
Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation
(Royal Society of Chemistry, 2021-05-04)Carbohydrate-decorated clusters (glycoclusters) centred on a Ru(II) ion were synthesised and tested for their activity against Pseudomonas aeruginosa biofilm formation. These clusters were designed by conjugating a range ... -
Electrochemical glucose biosensor based on an osmium redox polymer and glucose oxidase grafted to carbon nanotubes: A design-of-experiments optimisation of current density and stability
(Elsevier, 2021-01-25)Enzymatic glucose electrodes based on mediated electron transfer have potential for application as semi-implantable or implantable sensors. Enzyme electrodes consisting of adsorbed osmium-based redox polymer crosslinked ... -
Dual-drug amorphous formulation of gliclazide
(Taylor and Francis, 2021-02-01)Amorphization is a well-established strategy to enhance the dissolution properties of poorly water-soluble drugs. However, the amorphous state is inherently unstable toward recrystallization. Coamorphous systems of a drug ... -
Quantitative analysis of weakly bound insulin oligomers in solution using polarized multidimensional fluorescence spectroscopy
(Elsevier, 2020-09-08)Being able to measure the size and distribution of oligomers in solution is a critical issue in the manufacture and stability of insulin and other protein formulations. Measuring oligomers reliably can however be complicated, ... -
A pyrolysis study of allylic hydrocarbon fuels
(Wiley, 2020-08-17)The pyrolysis of selected C3 C5 allylic hydrocarbons has been studied using a single-pulse shock tube. A new single-pulse shock tube has been designed and constructed by recommissioning an existing conventional shock ...