Hydrocarbon flame inhibition by C3H2F3Br (2-BTP)

Babushok, Valeri I.; Linteris, Gregory T.; Burgess, Donald R.; Baker, Patrick

doi:10.1016/j.combustflame.2014.10.002

Cited by 86 publications

(91 citation statements)

References 30 publications

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“…The modeling results are presented in detail and discussed elsewhere [3,9]. Overall, the modeling results qualitatively predicted observations found in cup-burner tests and FAA-ACT, including the extinguishing concentrations required and the lean-to-rich dependence of mixtures.…”

Section: Introductionsupporting

confidence: 56%

“…To describe inhibition by fluorocarbon species, the National Institute of Standards and Technology (NIST) HFC C1-C2 Figure 1 Measured and calculated premixed, laminar burning velocity (normalized by the uninhibited value) for initially stoichiometric methane-air flames with added CF 3 Br. Calc (Babushok) [9]. Expt: Sanogo [20], Osorio [21], Linteris [22], Pagliaro [23].…”

Section: Experimental and Modeling Resultsmentioning

confidence: 98%

“…mechanism [13], was used, including updates [15][16][17] and additions [3,9], as summarized in the work by Linteris et al [18]. Finally, the submodel for the reactions describing inhibition by Br-containing species (i.e., the decomposition products of 2-BTP) is based on the CF 3 Br flame inhibition model of Babushok et al [19], which has been updated [9].…”

Section: Experimental and Modeling Resultsmentioning

confidence: 99%

“…Finally, the submodel for the reactions describing inhibition by Br-containing species (i.e., the decomposition products of 2-BTP) is based on the CF 3 Br flame inhibition model of Babushok et al [19], which has been updated [9]. The complete kinetic model for the simulations with 2-BTP has 1609 reactions and 188 species.…”

Section: Experimental and Modeling Resultsmentioning

confidence: 99%

“…In other companion work, the presently developed submechanism for the decomposition and flame chemistry of 2-BTP was combined with existing models of fuel combustion and halocarbon kinetics from the literature to simulate the behavior of 2-BTP in flame inhibition tests [3,9]. Those modeling results, reported in detail elsewhere, qualitatively predicted observations found in cup-burner tests and FAA-ACT, including the extinguishing concentrations required and system behavior with the change of equivalence ratio from rich to lean fuel mixtures, and also qualitatively predicted the increase in flammability limits and overpressure for a range of fuel/air stoichiometries and agent loadings.…”

Section: Discussionmentioning

confidence: 99%

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A Chemical Kinetic Mechanism for 2‐Bromo‐3,3,3‐trifluoropropene (2‐BTP) Flame Inhibition

Burgess

Babushok

Linteris

et al. 2015

Int J of Chemical Kinetics

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In this work, we report a detailed chemical kinetic mechanism to describe the flame inhibition chemistry of the fire-suppressant 2-bromo-3,3,3-trifluoropropene (2-BTP), under consideration as a replacement for CF 3 Br. Under some conditions, the effectiveness of 2-BTP is similar to that of CF 3 Br; however, like other potential halon replacements, it failed an U.S. Federal Aviation Authority (FAA) qualifying test for its use in cargo bays. Large overpressures are observed in that test and indicate an exothermic reaction of the agent under those conditions. The kinetic model reported herein lays the groundwork to understand the seemingly conflicting behavior on a fundamental basis. The present mechanism and parameters are based on an extensive literature review supplemented with new quantum chemical calculations. The first part of the present article documents the information considered and provides traceability with respect to the reaction set, species thermochemistry, and kinetic parameters. In additional work, presented more fully elsewhere, we have combined the 2-BTP chemical kinetic mechanism developed here with several other submodels from the literature and then used the combined mechanism to simulate premixed flames over a range of fuel/air stoichiometries and agent loadings. Overall, the modeling results qualitatively predicted observations found in cupburner tests and FAA Aerosol Can Tests, including the extinguishing concentrations required and the lean-to-rich dependence of mixtures. With these data in hand, in a second phase of the present work, we perform a reaction path analysis of major species under several modeled conditions. This analysis leads to a qualitative understanding of the ability of 2-BTP to act as

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Section: Introductionsupporting

confidence: 56%

Section: Experimental and Modeling Resultsmentioning

confidence: 98%

Section: Experimental and Modeling Resultsmentioning

confidence: 99%

Section: Experimental and Modeling Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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A Chemical Kinetic Mechanism for 2‐Bromo‐3,3,3‐trifluoropropene (2‐BTP) Flame Inhibition

Burgess

Babushok

Linteris

et al. 2015

Int J of Chemical Kinetics

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2‐Bromo‐3,3,3‐Trifluoropropene: A Versatile Reagent for the Synthesis of Fluorinated Compounds

2022

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2‐Bromo‐3,3,3‐trifluoropropene (BTP) represents a highly valuable synthon in synthetic chemistry, and has been widely used in organic synthesis, mainly including addition reactions, cross‐coupling reactions, cycloaddition or cyclization reactions, SN2’ reactions, and Stetter reactions for the construction of various fluorinated organic compounds. In this review, we systematically summarize these reactions; their mechanisms are also discussed.

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Palladium‐Catalysed Synthesis of α‐(Trifluoromethyl)styrenes by Means of Directed C–H Bond Functionalization

et al. 2015

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We report the first introduction of 2‐bromo‐3,3,3‐trifluoropropene (BTP) by directed C–H bond functionalization. The developed method gives straightforward access to α‐(trifluoromethyl)styrene derivatives without prior prefunctionalization of the substrates. This palladium‐catalysed transformation was applied to a broad range of substrates, and the corresponding trifluoromethylated products were obtained in good yields. This approach represents an alternative pathway to the classical method previously used to access such molecules.

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Hydrocarbon flame inhibition by C3H2F3Br (2-BTP)

Cited by 86 publications

References 30 publications

A Chemical Kinetic Mechanism for 2‐Bromo‐3,3,3‐trifluoropropene (2‐BTP) Flame Inhibition

A Chemical Kinetic Mechanism for 2‐Bromo‐3,3,3‐trifluoropropene (2‐BTP) Flame Inhibition

2‐Bromo‐3,3,3‐Trifluoropropene: A Versatile Reagent for the Synthesis of Fluorinated Compounds

Palladium‐Catalysed Synthesis of α‐(Trifluoromethyl)styrenes by Means of Directed C–H Bond Functionalization

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