Browsing College of Science by Subject "Rate constants"

Now showing items 1-8 of 8

    • 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 experimental and kinetic modeling study of n-hexane oxidation 

      Zhang, Kuiwen; Banyon, Colin; Togbé, Casimir; Dagaut, Philippe; Bugler, John; Curran, Henry J. (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 ...

    • An experimental and modeling study of diethyl carbonate oxidation 

      Nakamura, Hisashi; Curran, Henry J.; Córdoba, Angel Polo; Pitz, William J.; Dagaut, Philippe; Togbé, Casimir; Sarathy, S. Mani; Mehl, Marco; Agudelo, John R.; Bustamante, Felipe (Elsevier ScienceDirect, 2015-01-19)
      Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion ...

    • Investigating tryptophan quenching of fluorescein fluorescence under protolytic equilibrium 

      Ryder, Alan G.; Szczupak, Boguslaw; Togashi, Denisio M.; Calvet, Amandine; O'Loughlin, Muireann (2009)
      Fluorescein is one of most used fluorescent labels for characterizing biological systems, such as proteins, and is used in fluorescence microscopy. However, if fluorescein is to be used for quantitative measurements involving ...

    • Modeling ignition of a heptane isomer: improved thermodynamics, reaction pathways, kinetics, and rate rule optimizations for 2-methylhexane 

      Mohamed, Samah Y.; Cai, Liming; Khaled, Fethi; Banyon, Colin; Wang, Zhandong; Al Rashidi, Mariam J.; Pitsch, Heinz; Curran, Henry J.; Farooq, Aamir; Sarathy, S. Mani (American Chemical Society, 2016-03-21)
      Accurate chemical kinetic combustion models of lightly branched alkanes (e.g., 2-methylalkanes) are important to investigate the combustion behavior of real fuels. Improving the fidelity of existing kinetic models is a ...

    • Optimized reaction mechanism rate rules for ignition of normal alkanes 

      Cai, Liming; Pitsch, Heinz; Mohamed, Samah Y.; Raman, Venkat; Bugler, John; Curran, Henry J.; Sarathy, S.Mani (Elsevier, 2016-08-10)
      The increasing demand for cleaner combustion and reduced greenhouse gas emissions motivates research on the combustion of hydrocarbon fuels and their surrogates. Accurate detailed chemical kinetic models are an important ...

    • Theoretical and kinetic study of the hydrogen atom abstraction reactions of esters with HO2 radicals 

      Mendes, Jorge; Zhou, Chong-Wen; Curran, Henry J. (American Chemical Society, 2013-10-31)
      This work details an ab initio and chemical kinetic study of the hydrogen atom abstraction reactions by the hydroperoxyl radical (HO2) on the following esters: methyl ethanoate, methyl propanoate, methyl butanoate, methyl ...

    • Theoretical chemical kinetic study of the h-atom abstraction reactions from aldehydes and acids by Ḣ Atoms and ȮH, HȮ2, and ĊH3 radicals 

      Mendes, Jorge; Zhou, Chong-Wen; Curran, Henry J. (American Chemical Society, 2014-11-11)
      We have performed a systematic, theoretical chemical kinetic investigation of H atom abstraction by H atoms and OH, HO2, and CH3 radicals from aldehydes (methanal, ethanal, propanal, and isobutanal) and acids (methanoic ...