Browsing by Subject "Chemical kinetics"

Now showing items 1-18 of 18

    • Assessing the predictions of a NOx kinetic mechanism on recent hydrogen and syngas experimental data 

      Zhang, Yingjia; Mathieu, Olivier; Petersen, Eric L.; Bourque, Gilles; Curran, Henry J. (Elsevier, 2017-05-02)
      A detailed chemical kinetic mechanism has been developed to describe the pyrolysis and oxidation of the hydrogen/NOx and syngas/NOx systems. The thermodynamic data of nitrogenous compounds have been updated based on the ...

    • Autoignition of ethanol in a rapid compression machine 

      Mittal, Gaurav; Burke, Sinéad M.; Davies, Varun A.; Parajuli, Bikash; Metcalfe, Wayne K.; Curran, Henry J. (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 ...

    • An autoignition study of hydrogen and natural gas mixtures under gas turbine relevant conditions in a rapid compression machine 

      Donohoe, Nicola (2013-11-14)
      This study presents an experimental and modelling investigation of the ignition of hydrogen and natural gas mixtures. These mixtures were chosen due to their relevancy to the gas turbine industry. A detailed chemical ...

    • Chemical kinetics of hydrogen atom abstraction from allylic sites by 3O2; Implications for combustion modelling and simulation 

      Zhou, Chong-Wen; Simmie, John M.; Somers, Kieran; Goldsmith, C. Franklin; Curran, Henry J. (American Chemical Society, 2017-02-14)
      ABSTRACT: Hydrogen atom abstraction from allylic C−H bonds by molecular oxygen plays a very important role in determining the reactivity of fuel molecules having allylic hydrogen atoms. Rate constants for hydrogen atom ...

    • 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 ...

    • Development of a Chemical Kinetic Mechanism for Small Hydrocarbons 

      Burke, Sinéad M. (2014-01-07)
      A detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species. In order to understand the oxidation of large hydrocarbon and oxygenated hydrocarbon ...

    • Development of a joint hydrogen and syngas combustion mechanism based on an optimization approach 

      Curran, Henry J. (Wiley, 2016-05-20)
      A comprehensive and hierarchical optimization of a joint hydrogen and syngas combustion mechanism has been carried out. The Keromnes et al. (Combust Flame, 2013, 160, 995-1011) mechanism for syngas combustion was updated ...

    • Experimental and kinetic modeling study of 2-methyl-2-butene: allylic hydrocarbon kinetics 

      Westbrook, Charles K.; Pitz, William J.; Mehl, Marco; Glaude, Pierre-Alexandre; Herbinet, Olivier; Bax, Sarah; Battin-Leclerc, Frederique; Mathieu, Olivier; Petersen, Eric L.; Bugler, John; Curran, Henry J. (American Chemical Society, 2015-03-20)
      Two experimental studies have been carried out on the oxidation of 2-methyl-2-butene, one measuring ignition delay times behind reflected shock waves in a stainless steel shock tube, and the other measuring fuel, intermediate, ...

    • An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends 

      Lokachari, Nitin; Wagnon, Scott W.; Kukkadapu, Goutham; Pitz, William J.; Curran, Henry J. (Elsevier, 2020-11-13)
      Cyclopentane is a suitable naphthene, or cycloalkane, in a palette for multi-component gasoline surro- gate fuels due to its presence in market fuels and its relevance to alkyl substituted cyclopentanes also present. ...

    • Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: tri-propylene glycol mono-methyl ether 

      Burke, Ultan; Pitz, William J.; Curran, Henry J. (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 propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors 

      Burke, Sinéad M.; Metcalfe, Wayne; Herbinet, Olivier; Battin-Leclerc, Frédérique; Haas, Francis M.; Santner, Jeffrey; Dryer, Frederick L.; Curran, Henry J. (Elsevier ScienceDirect, 2014-06-20)
      Propene is a significant component of Liquefied Petroleum Gas (LPG) and an intermediate in the combustion of higher order hydrocarbons. To better understand the combustion characteristics of propene, this study and its ...

    • An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements 

      Burke, Sinéad M.; Burke, Ultan; Mc Donagh, Reuben; Mathieu, Olivier; Osorio, Irmis; Keesee, Charles; Morones, Anibal; Petersen, Eric L.; Wang, Weijing; DeVerter, Trent A.; Oehlschlaeger, Matthew A.; Rhodes, Brandie; Hanson, Ronald K.; Davidson, David F.; Weber, Bryan W.; Sung, Chih-Jen; Santner, Jeffrey; Ju, Yiguang; Haas, Francis M.; Dryer, Frederick L.; Volkov, Evgeniy N.; Nilsson, Elna J. K.; Konnov, Alexander A.; Alrefae, Majed; Khaled, Fethi; Farooq, Aamir; Dirrenberger, Patricia; Glaude, Pierre-Alexandre; Battin-Leclerc, Frédérique; Curran, Henry J. (Elsevier ScienceDirect, 2014-09-11)
      Experimental data obtained in this study (Part II) complement the speciation data presented in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental ignition delay time (IDT) and ...

    • An extensive experimental and modeling study of 1-butene oxidation 

      Li, Yang; Zhou, Chong-Wen; Curran, Henry J. (Elsevier, 2017-04-13)
      In this study, a series of ignition delay time (IDT) experiments of 1-butene were performed in a high-pressure shock tube (HPST) and in a rapid compression machine (RCM) under conditions of relevance to practical combustors. ...

    • Ignition studies of n-heptane/iso-octane/toluene blends 

      Javed, Tamour; Lee, Changyoul; AlAbbad, Mohammed; Djebbi, Khalil; Beshir, Mohamed; Badra, Jihad; Curran, Henry J.; Farooq, Aamir (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 ...

    • On the pyrolysis and combustion of furans: quantum chemical, statistical rate theory, and chemical kinetic modelling studies 

      Somers, Kieran Patrick (2014-06-23)
      The development of synthetic methods which can convert inedible waste biomass into liquid transportation fuels is an exciting breakthrough which may reduce our dependence on fossil fuels for energy production, and contribute ...

    • 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 ...

    • A single pulse shock tube study of pentene isomer pyrolysis 

      Nagaraja, Shashank S.; Power, Jennifer; Kukkadapu, Goutham; Dong, Shijun; Wagnon, Scott W.; Pitz, William J.; Curran, Henry J. (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 ...

    • Understanding the antagonistic effect of methanol as a component in surrogate fuel models: A case study of methanol/n-heptane mixtures 

      Wu, Yingtao; Panigrahy, Snehasish; Sahu, Amrit B.; Bariki, Chaimae; Beeckmann, Joachim; Liang, Jinhu; Mohamed, Ahmed A. E.; Dong, Shijun; Tang, Chenglong; Pitsch, Heinz; Huang, Zuohua; Curran, Henry J. (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 ...