Thermochemical and chemical kinetic data for fluorinated hydrocarbons

Burgess, Donald R.; Zachariah, Michael R.; Tsang, Wing; Westmoreland, Phillip R.

doi:10.1016/0360-1285(95)00009-7

Cited by 243 publications

(184 citation statements)

References 473 publications

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“…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%

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: Experimental and Modeling Resultsmentioning

confidence: 99%

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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“…Pyrolysis of longer perfluorochemical chains will tend to yield tetrafluoroethene, C 2 F 4 , difluorocarbene, CF 2 , and the trifluoromethyl radical, CF 3 as the primary C 1 and C 2 products. Under combustion conditions, these radicals are readily transformed into CO, CO 2, and HF [243].…”

Section: Pfox Thermolysismentioning

confidence: 99%

“…The thermolysis of fluorochemicals has been documented experimentally under more controlled conditions to determine individual reaction kinetics and mechanisms [230][231][232][233][234][235][236][237][238][239][240][241], and under more industrial conditions to test incinerability [81,111,113] or other thermal degradation processes [242]. A comprehensive experimental and theoretical database of C 1 and C 2 fluorochemical pyrolytic and combustion mechanisms, thermochemistry, and kinetics has been reported [243]. Fluorochemical C-C bonds (100 kcal/mol) in a fluorochemical will break prior to C-F bonds (120 kcal/mol) to yield fluoroalkyl radicals.…”

Section: Pfox Thermolysismentioning

confidence: 99%

Treatment technologies for aqueous perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA)

Vecitis

Park

Cheng

et al. 2009

Front. Environ. Sci. Eng. China

377

256

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Fluorochemicals (FCs) are oxidatively recalcitrant, environmentally persistent, and resistant to most conventional treatment technologies. FCs have unique physiochemical properties derived from fluorine which is the most electronegative element. Perfluorooctanesulfonate (PFOS), and perfluorooctanoate (PFOA) have been detected globally in the hydrosphere, atmosphere and biosphere. Reducing treatment technologies such as reverses osmosis, nano-filtration and activated carbon can remove FCs from water. However, incineration of the concentrated waste is required for complete FC destruction. Recently, a number of alternative technologies for FC decomposition have been reported. The FC degradation technologies span a wide range of chemical processes including direct photolysis, photocatalytic oxidation, photochemical oxidation, photochemical reduction, thermally-induced reduction, and sonochemical pyrolysis. This paper reviews these FC degradation technologies in terms of kinetics, mechanism, energetic cost, and applicability. The optimal PFOS/PFOA treatment method is strongly dependent upon the FC concentration, background organic and metal concentration, and available degradation time.

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“…In the presence of other molecules (e.g. H 2 O, N 2 , O 2 ), the decomposition products of HFC125 at evaluated temperature may include HF, COF 2 , CF 3 CF, CF 2 CF 2 , CHF 3 , CF 2 , CHF 2 and CF; [2][3][4] those of SF 6 may include S 2 OF 10 , SO 2 , S 2 F 10 , SF 4 , SO 2 F 2 , SOF 2 , SOF 4 , F 2 , S 2 O 2 F 10 , H 2 S, HF and F 2 O. 4,5) HFC125 and SF 6 become corrosive at high temperature because most of these thermal decomposition products are corrosive.…”

Section: Discussionmentioning

confidence: 99%

Corrosivity of HFC125 as Shielding Gas for Magnesium Melt under High Temperature

You

Dou

et al. 2011

Mater. Trans.

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HFC125 is a potential substitutive to SF 6 in terms of its protective effectiveness, reduced GWP and cost. In the present study, corrosivity of HFC125 containing nitrogen atmosphere to the medium-carbon steel of C45E4 was examined by systematic experiments under the temperatures and HFC125 concentrations commonly used in Mg die-casting practice. For comparison, the corrosivity of SF 6 containing nitrogen atmosphere was examined in the identical conditions, followed by X-ray diffraction and X-ray fluorescence characterization of the corrosion products. The results show that the HFC125 containing nitrogen atmosphere was less corrosive to C45E4 than SF 6 containing one in long-playing corrosion under identical conditions. Oxidation was the major cause of the corrosion to C45E4 and HFC125 or SF 6 was of secondary contribution. HFC125 or its decomposition was deduced to corrode C45E4 to produce fluorides; SF 6 or its decomposition was deduced to react with C45E4 to produce sulfides.

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Thermochemical and chemical kinetic data for fluorinated hydrocarbons

Cited by 243 publications

References 473 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

Treatment technologies for aqueous perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA)

Corrosivity of HFC125 as Shielding Gas for Magnesium Melt under High Temperature

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