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A chemical kinetic perspective on the low-temperature oxidation of propane/propene mixtures through experiments and kinetic analyses (2021)

Ramalingam, Ajoy; Panigrahy, Snehasish; Fenard, Yann; Curran, Henry J.; Heufer, Karl Al...

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A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane (2018)

Westbrook, Charles K.; Pitz, William J.; Herbinet, Olivier; Curran, Henry J.; Silke, Em...

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A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation (2018)

Somers, Kieran P.; Simmie, John M.; Gillespie, Fiona; Conroy, Christine; Black, Gráinne...

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A detailed chemical kinetic modeling and experimental investigation of the low- and high-temperature chemistry of n-butylcyclohexane (2021)

Pitz, William J.; Liang, Jinhu; Kukkadapu, Goutham; Zhang, Kuiwen; Conroy, Christine; B...

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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 (2020)

Sun, Yanjin; Zhou, Chong-Wen; Somers, Kieran P.; Curran, Henry J.

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An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements (2019)

Zhou, Chong-Wen; Li, Yang; Burke, Ultan; Banyon, Colin; Somers, Kieran P.; Ding, Shuiti...

An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements (2019)

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.

Abstract:

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 were measured at equivalence ratios of 0.5, 1.0, and 2.0 in 'air' at pressures of 10, 20 and 40 atm in both the shock tubes and in the RCM. Additional measurements were made at equivalence ratios of 0.3, 0.5, 1.0 and 2.0 in argon, at pressures of 1, 2 and 4 atm in a number of different shock tubes. Laminar flame speeds were measured at unburnt temperatures of 295 K, 359 K and 399 K at atmospheric pressure in the equivalence ratio range of 0.6-1.7, and at a pressure of 5 atm at equivalence ratios in the range 0.6-1.4. These experimental data were then used as validation targets for a newly developed detailed chemical kinetic mechanism for 1,3-butadiene oxidation.A detailed chemical kinetic mechanism (AramcoMech 3.0) has been developed to describe the combus...

http://hdl.handle.net/10379/14784

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An experimental and kinetic modeling study of cyclopentane and dimethyl ether blends (2021)

Lokachari, Nitin; Wagnon, Scott W.; Kukkadapu, Goutham; Pitz, William J.; Curran, Henry J.

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An experimental and kinetic modeling study of the oxidation of hexane isomers: Developing consistent reaction rate rules for alkanes (2019)

Kuiwen, Zhang; Banyon, Colin; Burke, Ultan; Kukkadapu, Goutham; Wagnon, Scott W.; Mehl,...

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An experimental and modeling study of diethyl carbonate oxidation (2018)

Nakamura, Hisashi; Curran, Henry J.; Polo Córdoba, Angel; Pitz, William J.; Dagaut, Phi...

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An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone (2019)

Zhang, Kuiwen; Lokachari, Nitin; Ninnemann, Erik; Khanniche, Sarah; Green, William H.; ...

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An ignition delay time and chemical kinetic modeling study of the pentane isomers (2018)

Bugler, John; Marks, Brandon; Mathieu, Olivier; Archuleta, Rachel; Camou, Alejandro; Gr...

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An RCM experimental and modeling study on CH4 and CH4/C2H6 oxidation at pressures up to 160 bar (2017)

Ramalingam, Ajoy; Zhang, Kuiwen; Dhongde, Avnish; Virnich, Lukas; Sankhla, Harsh; Curra...

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Assessing the predictions of a NOx kinetic mechanism on recent hydrogen and syngas experimental data (2017)

Zhang, Yingjia; Mathieu, Olivier; Petersen, Eric L.; Bourque, Gilles; Curran, Henry J.

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Autoignition behavior of unsaturated hydrocarbons in the low and high temperature regions (2018)

Mehl, Marco; Pitz, William J.; Westbrook, Charles K.; Yasunaga, Kenji; Conroy, Christin...

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Cyclopentane combustion. Part II. Ignition delay measurements and mechanism validation (2017)

Al Rashidi, Mariam J.; Mármol, Juan C.; Banyon, Colin; Sajid, Muhammad B.; Mehl, Marco;...

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Detailed chemical kinetic reaction mechanisms for primary reference fuels for diesel cetane number and spark-ignition octane number (2018)

Westbrook, C.K.; Pitz, W.J.; Mehl, M.; Curran, Henry J.

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Determination of rate parameters based on both direct and indirect measurements (2018)

Turányi, T.; Nagy, T.; Zsély, I. Gy.; Cserháti, M.; Varga, T.; Szabó, B. T.; Sedyó, I.;...

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Developing detailed chemical kinetic mechanisms for fuel combustion (2019)

Curran, Henry J.

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Kinetic modeling of gasoline surrogate components and mixtures under engine conditions (2018)

Mehl, Marco; Pitz, William J.; Westbrook, Charles K.; Curran, Henry J.

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New experimental insights into acetylene oxidation through novel ignition delay times, laminar burning velocities and chemical kinetic modelling (2019)

Lokachari, Nitin; Burke, Ultan; Ramalingam, Ajoy; Turner, Mattias; Hesse, Raik; Somers,...

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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 (2017)

Zhang, Yingjia; Somers, Kieran P.; Mehl, Marco; Pitz, William J.; Cracknell, Roger F.; ...

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Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether (2019)

Zhang, Yingjia; El-Merhubi, Hilal; Lefort, Benoîte; Le Moyne, Luis; Curran, Henry J.; K...

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Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate (2019)

Ahmed, Ahfaz; Pitz, William J.; Cavallotti, Carlo; Mehl, Marco; Lokachari, Nitin; Nilss...

Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate (2019)

Ahmed, Ahfaz; Pitz, William J.; Cavallotti, Carlo; Mehl, Marco; Lokachari, Nitin; Nilsson, Elna J. K.; Wang, Jui-Yang; Konnov, Alexander A.; Wagnon, Scott W.; Chen, Bingjie; Wang, Zhandong; Kim, Seonah; Curran, Henry J.; Klippenstein, Stephen J.; Roberts, William L.; Sarathy, S. Mani

Abstract:

Small esters represent an important class of high octane biofuels for advanced spark ignition engines. They qualify for stringent fuel screening standards and could be synthesized through various pathways. In this work, we performed a detailed investigation of the combustion of two small esters, MA (methyl acetate) and EA (ethyl acetate), including quantum chemistry calculations, experimental studies of combustion characteristics and kinetic model development. The quantum chemistry calculations were performed to obtain rates for H-atom abstraction reactions involved in the oxidation chemistry of these fuels. The series of experiments include: a shock tube study to measure ignition delays at 15 and 30 bar, 1000-1450 K and equivalence ratios of 0.5, 1.0 and 2.0; laminar burning velocity measurements in a heat flux burner over a range of equivalence ratios [0.7-1.4] at atmospheric pressure and temperatures of 298 and 338 K; and speciation measurements during oxidation in a jet-stirred ...

http://hdl.handle.net/10379/15120