Relative rate coefficients of OH radical reactions with CF3CFCClCF3 and CF3CHCHCH2OH. Ozone depletion potential estimate for CF3CFCClCF3

Abrate, Juan Pablo Aranguren; Pisso, Ignacio; Peirone, Silvina Anahí; Cometto, Pablo Marcelo; Lane, Silvia I.

doi:10.1016/j.atmosenv.2012.10.047

Cited by 7 publications

(6 citation statements)

References 35 publications

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“…However, the direct instantaneous cloudy-sky radiative efficiency (RE), which is a necessary parameter to calculate the GWP, involves important spectroscopic information of the studied species in the IR spectral window, where the radiative efficiencies can be significant. In fact, GWPs for short-lived compounds have been reported recently (Nilsson et al, 2009;Baasandorj et al, 2011;Jiménez et al, 2011;Cometto et al, 2011;Aranguren Abrate et al, 2013). Plots of the cross-sections (cm 2 mol À1 cm À1 ) as a function of wavenumber (cm À1 ) of the unsaturated alcohols studied are shown in Fig.…”

Section: Atmospheric Implicationsmentioning

confidence: 83%

Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions

Peirone

Barrera

Taccone

et al. 2014

Atmospheric Environment

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Section: Atmospheric Implicationsmentioning

confidence: 83%

Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions

Peirone

Barrera

Taccone

et al. 2014

Atmospheric Environment

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“…31 However, GWPs have been calculated for some halogenated compounds with lifetimes shorter than 0.5 year from their radiative efficiencies (RE). 11,12,[32][33][34][35] As RE is an intermediate parameter in GWP calculation and is not affected by s values, it would be worthwhile to make a comparison of the RE for the three haloethenes with CFCl 3 (CFC-11) or CO 2 , together with GWP. Radiative efficiencies of the studied compounds were calculated using the method of Pinnock et al 36 and their IR spectra recorded in the 500-1500 cm À1 region at 298 K. Plots of the cross-sections (cm 2 per molecule) as a function of wavenumber (cm À1 ) of the haloolens studied are shown in Fig.…”

Section: Atmospheric Implicationsmentioning

confidence: 99%

“…Additionally, this study aims to extend the existing scant database on the reactivity of halogenated alkenes toward tropospheric oxidants as part of ongoing work in our laboratory regarding the fate and impact of these compounds in atmospheric chemistry. 11,12 Moreover, the investigation of the reactivity of these anthropogenic volatile organic compounds provides an opportunity to examine halogen substituent effects as a function of extent and position around the double bond. Finally, the environmental acceptability and atmospheric implications of the three haloolens studied were evaluated calculating their lifetimes, radiative efficiencies (RE), and atmospheric hazard indices (ODP and GWP).…”

Section: Introductionmentioning

confidence: 99%

Kinetic study of the OH and Cl-initiated oxidation, lifetimes and atmospheric acceptability indices of three halogenated ethenes

et al. 2015

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26 27 The gas-phase kinetics for the reactions of OH radicals and Cl atoms with (E/Z)-28CHCl=CHF, (E/Z)-CFCl=CFCl, and CCl 2 =CF 2 were investigated at room-temperature 29 and atmospheric pressure. A conventional relative-rate technique was used to determine 30 the rate coefficients k(OH + (E/Z)-CHCl=CHF) = (6.3 ± 1.2) x 10 -12 , k(OH + (E/Z)-31 CFCl=CFCl) = (1.6 ± 0.2) x 10 -12 , k(OH + CCl 2 =CF 2 ) = (5.0 ± 0.7) x 10 -12 , k(Cl + 32 (E/Z)-CHCl=CHF) =(11 ± 2) x 10 -11 , k(Cl + (E/Z)-CFCl=CFCl) = (5.4 ± 1.3) x 10 -11 , 33 and k(Cl + CCl 2 =CF 2 ) = (6.3 ± 1.5) x 10 -11 cm 3 molecule -1 s -1 . These rate coefficients 34 were compared with previous literature data to analyze the effect of halogen substitution 35 in ethenes on the reactivity towards OH and Cl, and used to estimate the global 36 atmospheric lifetimes for the studied haloethenes. The calculated lifetimes, using 37 average global concentrations of OH radicals and Cl atoms, indicate that the 38 atmospheric loss of these compounds is determined by the OH-initiated oxidation. Also, 39 the atmospheric implications of the halogenated ethenes studied were evaluated by 40 estimating acceptability indices such as the global warming potential (GWP) and the 41 ozone depletion potential (ODP). From these potentials, the contribution of (E/Z)-42CHCl=CHF, (E/Z)-CFCl=CFCl, and CCl 2 =CF 2 to radiative forcing of climate change 43 and to ozone layer depletion is expected to be negligible. 44 45 46 47 48 49 50

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“…The rate coefficient for the title reaction at 296 ± 2 K and atmospheric pressure (750 ± 10 Torr) was determined by the conventional relative rate method described in previous works. − …”

Section: Methodsmentioning

confidence: 99%

“…The experimental setup was described in detail previously, and only a brief description will be given here. − The kinetic determinations were made in a collapsible Teflon bag of approximately 80 L. All of the reactants diluted in ultrapure air were left to mix in the reaction chamber for approximately 1 h before the first photolysis. The OH radicals were produced by the UV photolysis of H 2 O 2 at around 254 nm for which the Teflon bag was placed inside a wooden box with six germicidal lamps (Philips 30 W).…”

Section: Methodsmentioning

confidence: 99%

Rate Coefficient and Mechanism of the OH-Initiated Degradation of 1-Chlorobutane: Atmospheric Implications

et al. 2019

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In this work, we investigate the degradation process of 1chlorobutane, initiated by OH radicals, under atmospheric conditions (air pressure of 750 Torr and 296 K) from both experimental and theoretical approaches. In the first one, a relative kinetic method was used to obtain the rate coefficient for this reaction, while the products were identified for the first time (1-chloro-2-butanone, 1-chloro-2-butanol, 4-chloro-2butanone, 3-hydroxy-butanaldehyde, and 3-chloro-2-butanol) using mass spectrometry, allowing suggesting a reaction mechanism. The theoretical calculations, for the reactive process, were computed using the BHandHLYP/6-311++G(d,p) level of theory, and the energies for all of the stationary points were refined at the CCSD(T) level. Five conformers for 1-chlorobutane and 33 reactive channels with OH radicals were found, which were considered to calculate the thermal rate coefficient (as the sum of the site-specific rate coefficients using canonical transition state theory). The theoretical rate coefficient (1.8 × 10 −12 cm 3 molecule −1 s −1 ) is in good agreement with the experimental value (2.22 ± 0.50) × 10 −12 cm 3 molecule −1 s −1 determined in this work. Finally, environmental impact indexes were calculated and a discussion on the atmospheric implications due to the emissions of this compound into the troposphere was given.

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Relative rate coefficients of OH radical reactions with CF3CFCClCF3 and CF3CHCHCH2OH. Ozone depletion potential estimate for CF3CFCClCF3

Cited by 7 publications

References 35 publications

Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions

Relative rate coefficient measurements of OH radical reactions with (Z)-2-hexen-1-ol and (E)-3-hexen-1-ol under simulated atmospheric conditions

Kinetic study of the OH and Cl-initiated oxidation, lifetimes and atmospheric acceptability indices of three halogenated ethenes

Rate Coefficient and Mechanism of the OH-Initiated Degradation of 1-Chlorobutane: Atmospheric Implications

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