Browsing School of Chemistry by Author "Somers, Kieran P."
Now showing items 1-18 of 18
-
An ab initio/transition state theory study of the reactions of Ċ5H9 species of relevance to 1,3-Pentadiene, Part II: Pressure dependent rate constants and implications for combustion modeling
Sun, Yanjin; Zhou, Chong-Wen; Somers, Kieran P.; Curran, Henry J. (American Chemical Society, 2020-05-12)The temperature- and pressure-dependence of rate constants for several radicals and unsaturated hydrocarbons reactions (1,3-C5H8/1,4-C5H8/cyC(5)H(8) + (H)over dot, C2H4 + (C)over dot(3)H5-a, C3H6 + (C)over dot(2)H(3)) are ... -
A chemical kinetic interpretation of the octane appetite of modern gasoline engines
Somers, Kieran P.; Cracknell, Roger F.; Curran, Henry J. (Elsevier, 2018-06-29)Fuel anti-knock quality is a critical property with respect to the effective design of next-generation spark-ignition engines which aim to have increased efficiency, and lower emissions. Increasing evidence in the literature ... -
A comprehensive experimental and modeling study of isobutene oxidation
Zhou, Chong-Wen; Li, Yang; O'Connor, Eoin; Somers, Kieran P.; Thion, Sébastien; Keesee, Charles; Mathieu, Olivier; Petersen, Eric L.; DeVerter, Trent A.; Oehlschlaeger, Matthew A.; Kukkadapu, Goutham; Sung, Chih-Jen; Alrefae, Majed; Khaled, Fathi; Farooq, Aamir; Dirrenberger, Patricia; Glaude, Pierre-Alexandre Glaude; Battin-Leclerc, Frédérique; Santner, Jeffrey; Ju, Yiguang; Held, Timothy; Haas, Francis M.; Dryer, Frederick L.; Curran, Henry J. (Elsevier, 2016-03-17)Isobutene is an important intermediate in the pyrolysis and oxidation of higher-order branched alkanes, and it is also a component of commercial gasolines. To better understand its combustion characteristics, a series of ... -
A comprehensive experimental and simulation study of ignition delay time characteristics of single fuel C1–C2 hydrocarbons over a wide range of temperatures, pressures, equivalence ratios, and dilutions
Baigmohammadi, Mohammadreza; Patel, Vaibhav; Martinez, Sergio; Panigrahy, Snehasish; Ramalingam, Ajoy; Burke, Ultan; Somers, Kieran P.; Heufer, Karl A.; Pekalski, Andrzej; Curran, Henry J. (American Chemical Society, 2020-02-03)A comprehensive experimental and modeling study of the ignition delay time (IDT) characteristics of some single prominent C1–C2 hydrocarbons including methane, ethane, and ethylene has been performed over a wide range of ... -
Comprehensive experimental and simulation study of the ignition delay time characteristics of binary blended methane, ethane, and ethylene over a wide range of temperature, pressure, equivalence ratio, and dilution
Baigmohammadi, Mohammadreza; Patel, Vaibhav; Nagaraja, Shashank; Ramalingam, Ajoy; Martinez, Sergio; Panigrahy, Snehasish; Mohamed, Ahmed Abd El-Sabor; Somers, Kieran P.; Burke, Ultan; Heufer, Karl A.; Pekalski, Andrzej; Curran, Henry J. (American Chemical Society, 2020-06-03)A comprehensive experimental and kinetic modeling study of the ignition delay time (IDT) characteristics of some binary blends of C1–C2 gaseous hydrocarbons such as methane/ethylene, methane/ethane, and ethane/ethylene was ... -
An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements
Zhou, Chong-Wen; Li, Yang; Burke, Ultan; Banyon, Colin; Somers, Kieran P.; Ding, Shuiting; Khan, Saadat; Hargis, Joshua W.; Sikes, Travis; Mathieu, Olivier; Petersen, Eric L.; AlAbbad, Mohammed; Farooq, Aamir; Pan, Youshun; Zhang, Yingjia; Huang, Zuohua; Lopez, Joseph; Loparo, Zachary; Vasu, Subith S.; Curran, Henry J. (Elsevier, 2018-09-10)Ignition delay times for 1,3-butadiene oxidation were measured in five different shock tubes and in a rapid compression machine (RCM) at thermodynamic conditions relevant to practical combustors. The ignition delay times ... -
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
Martinez, Sergio; Baigmohammadi, Mohammadreza; Patel, Vaibhav; Panigrahy, Snehasish; Sahu, Amrit B.; Nagaraja, Shashank S.; Ramalingam, Ajoy; Mohamed, A. Abd El-Sabor; Somers, Kieran P.; Heufer, Karl A.; Pekalski, Andrzej; Curran, Henry J. (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 ... -
An experimental and kinetic modeling study of the pyrolysis and oxidation of n-C-3-C-5 aldehydes in shock tubes
Pellucci, Matteo; Somers, Kieran P.; Yasunaga, Kenji; Burke, Ultan; Alessio, Frassoldati; Ranzi, Eliseo; Curran, Henry J.; Faravelli, Tiziano (Elsevier ScienceDirect, 2015-08-24)Due to the increasing interest in the use of biofuels for energy production, it is of great importance to better understand the combustion and thermal decomposition characteristics of species such as aldehydes. These are ... -
Hierarchical study of the reactions of hydrogen atoms with alkenes: A theoretical study of the reactions of hydrogen atoms with C2–C4 alkenes
Power, Jennifer; Somers, Kieran P.; Nagaraja, Shashank S.; Curran, Henry J. (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), ... -
Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons
Sun, Yanjin; Somers, Kieran P.; Wang, Quan-De; Farrell, Caoimhe; Curran, Henry J. (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 ... -
An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures
Burke, Ultan; Somers, Kieran P.; O’Toole, Peter; Zinner, Chis M.; Marquet, Nicolas; Bourque, Gilles; Petersen, Eric L.; Metcalfe, Wayne K.; Serinyel, Zeynep; Curran, Henry J. (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 ... -
Modeling nitrogen species as pollutants: thermochemical influences
Bugler, John; Somers, Kieran P.; Simmie, John M.; Guthe, Felix; Curran, Henry J. (American Chemical Society, 2016-08-22)To simulate emissions of nitrogen-containing compounds in practical combustion environments, it is necessary to have accurate values for their thermochemical parameters, as well as accurate kinetic values to describe the ... -
New experimental insights into acetylene oxidation through novel ignition delay times, laminar burning velocities and chemical kinetic modelling
Lokachari, Nitin; Burke, Ultan; Ramalingam, Ajoy; Turner, Mattias; Hesse, Raik; Somers, Kieran P.; Beeckmann, Joachim; Heufer, Karl A.; Petersen, Eric L.; Curran, Henry J. (Elsevier, 2018-08-03)The oxidation of acetylene is central to the oxidation of virtually all hydrocarbon fuels. It is also important for commercial industry, due to its wide range of applications such as flame photometry, atomic absorption, ... -
The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene
Li, Yang; Zhou, Chong-Wen; Somers, Kieran P.; Zhang, Kuiwen; Curran, Henry J. (Elsevier, 2016-06-16)Butenes are intermediates ubiquitously formed by decomposition and oxidation of larger hydrocarbons (e.g. alkanes) or alcohols present in conventional or reformulated fuels. In this study, a series of novel igni-tion delay ... -
Probing the antagonistic effect of toluene as a component in surrogate fuel models at low temperatures and high pressures. A case study of toluene/dimethyl ether mixtures
Zhang, Yingjia; Somers, Kieran P.; Mehl, Marco; Pitz, William J.; Cracknell, Roger F.; Curran, Henry J. (Elsevier, 2016-07-12)There is a dearth of experimental data which examine the fundamental low-temperature ignition (T < 900 K) behavior of toluene resulting in a lack of data for the construction, validation, and interpretation of chemical ... -
The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study
Somers, Kieran P.; Simmie, John M.; Metcalfe, Wayne K.; Curran, Henry J. (Royal Society of Chemistry, 2014-01-27)Due to the rapidly growing interest in the use of biomass derived furanic compounds as potential platform chemicals and fossil fuel replacements, there is a simultaneous need to understand the pyrolysis and combustion ... -
Revisiting the kinetics and thermodynamics of the low-temperature oxidation pathways of alkanes: a case study of the three pentane isomers
Bugler, John; Somers, Kieran P.; Silke, Emma J.; Curran, Henry J. (American Chemical Society, 2015-03-23)This paper describes our developing understanding of low-temperature oxidation kinetics. We have investigated the ignition of the three pentane isomers in a rapid compression machine over a wide range of temperatures and ... -
Species measurements of the particulate matter reducing additive tri–propylene glycol monomethyl ether
Burke, Ultan; Shahla, Roya; Dagaut, Phillippe; Dayma, Guillaume; Togbé, Casimir; Somers, Kieran P.; Curran, Henry J. (Elsevier, 2018-07-23)Reducing particulate matter formation and emissions by using fuel additives is a topic of interest for the petrochemical and automotive engineering industries. A compound which has been shown to be effective in this regard ...