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A comprehensive experimental and modeling study of isobutene oxidation (2016)

Zhou, Chong-Wen; Li, Yang; O'Connor, Eoin; Somers, Kieran P.; Thion, Sébastien; Ke...

A comprehensive experimental and modeling study of isobutene oxidation (2016)

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

Abstract:

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 ignition delay time (IDT) and laminar flame speed (LFS) measurements have been performed. In addition, flow reactor speciation data recorded for the pyrolysis and oxidation of isobutene is also reported. Predictions of an updated kinetic model described herein are compared with each of these data sets, as well as with existing jet-stirred reactor (JSR) species measurements.IDTs of isobutene oxidation were measured in four different shock tubes and in two rapid compression machines (RCMs) under conditions of relevance to practical combustors. The combination of shock tube and RCM data greatly expands the range of available validation data for isobutene oxidation models to pressures of 50 atm and temperatures in the range 666-1715 K. Isobutene flame speeds were measur...

http://hdl.handle.net/10379/6030

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A comprehensive experimental and modeling study of isobutene oxidation (2018)

Zhou, Chong-Wen; Li, Yang; O'Connor, Eoin; Somers, Kieran P.; Thion, Sébastien; Ke...

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A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics (2017)

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; Al Rashidi, Mariam J.; Al Rashidi, M...

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics (2017)

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; Al Rashidi, Mariam J.; Al Rashidi, Mariam; Banyon, Colin; Mehl, Marco; Heufer, Karl Alexander; Nasir, Ehson F.; Alfazazi, A.; Das, Apurba K.; Westbrook, Charles K.; Pitz, William J.; Lu, Tianfeng; Farooq, Aamir; Sung, Chih-Jen; Curran, Henry J.; Sarathy, S. Mani

Abstract:

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Moreover, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. Furthermore, new alternative isomerization pathways for peroxy-alkyl hydroperoxide (OOQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. These experiments were conducted at pressures of 20 and 40 atm, at equivale...

http://hdl.handle.net/10379/6872