Browsing School of Chemistry by Title
Now showing items 165-184 of 360
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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 ... -
A hierarchical single-pulse shock tube pyrolysis study of C-2-C-6 1-alkenes
(Elsevier, 2020-06-27)A single-pulse shock tube study of the pyrolysis of 2% C-2 - C-6 1-alkenes is presented at 2 bar in the tem-perature range 900-1800 K in the current study. Reactant, intermediate and product species are obtained and ... -
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), ... -
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, ... -
Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons
(Royal Society of Chemistry, 2020-11-03)The hindered internal rotors of 32 transition states (TSs) formed through four free radicals, namely methyl, vinyl, ethyl, methoxy (CH3, C2H3, C2H5, CH3) additions to acetylene, ethylene, allene, propyne, and propene ... -
Homo- and Heterometallic planes, chains and cubanes.
(RSC, 2013-05-24)The synthesis, structural and magnetic characterisation of a family of homo- and heterometallic complexes constructed with the Schiff base ligands 2-iminomethyl-6-methoxy-phenol (L1H) and 2-imino-6-methoxy-phenol (L2H), ... -
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. ... -
Hydrocarbon fluid inclusion fluorescence: A review
(Springer, 2007)Geological fluid inclusions are small voids that can contain a variety of liquids which are often found in natural minerals and rocks. Typically they are less than 10 micrometres in size that host fossil fluids which existed ... -
Hydrogen bonding networks and solid-state conversions in benzamidinium salts
(2015-07-14)Ten benzamidinium salts of carboxylic acids, amides, and sulfonamides have been crystallized from solution. Single-crystal X-ray analyses revealed various hydrogen bonding motifs which ate discussed in terms of supramolecular ... -
Identifications and quantitative measurements of narcotics in solid mixtures using near-IR Raman spectroscopy and multivariate analysis
(1999)Raman spectroscopy offers the potential for the identification of illegal narcotics in seconds by inelastic scattering of light from molecular vibrations. In this study cocaine, heroin, and MDMA were analyzed using near-IR ... -
Identifications and quantitative measurements of narcotics in solid mixtures using near-IR Raman spectroscopy and multivariate analysis.
(ASTM International, 1999)Raman spectroscopy offers the potential for the identification of illegal narcotics in seconds by inelastic scattering of light from molecular vibrations. In this study cocaine, heroin, and MDMA were analyzed using near-IR ... -
Ignition characteristics of 2-methyltetrahydrofuran: An experimental and kinetic study
(Elsevier, 2016-10-10)The present paper elucidates oxidation behavior of 2-methyltetrahydrofuran (2-MTHF), a novel second-generation biofuel. New experimental data sets for 2-MTHF including ignition delay time measurements in two different ... -
An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures
(Elsevier ScienceDirect, 2014-09-29)The development of accurate chemical kinetic models capable of predicting the combustion of methane and dimethyl ether in common combustion environments such as compression ignition engines and gas turbines is important ... -
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 time measurements of diesel and gasoline blends
(Elsevier, 2020-09-23)Blends of diesel and gasoline can be used to achieve certain desired ignition characteristics in advanced compression ignition engine concepts. In this work, ignition delay times were measured for two blends of diesel and ... -
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 ... -
Ignition studies of n-heptane/iso-octane/toluene blends
(Elsevier ScienceDirect, 2016-07-09)Ignition delay times of four ternary blends of n-heptane/iso-octane/toluene, referred to as Toluene Primary Reference Fuels (TPRFs), have been measured in a high-pressure shock tube and in a rapid compression machine. The ... -
Impact of pig slurry amendments on phosphorus, suspended sediment and metal losses in laboratory runoff boxes under simulated rainfall
(Elsevier, 2012)Losses of phosphorus (P) when pig slurry applications to land are followed by a rainfall event or losses from soils with high P contents can contribute to eutrophication of receiving waters. The addition of amendments to ... -
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. ... -
Implementation of an ISO 50001 energy management system using Lean Six Sigma in an Irish dairy: a case study
(Emerald, 2023-12-18)Purpose This article aims to optimise energy use and consumption by integrating Lean Six Sigma methodology with the ISO 50001 energy management system standard in an Irish dairy plant operation. Design/methodology/ap ...