Literature DB >> 25138554

Hydroxyl radical reaction rate coefficients as a function of temperature and IR absorption cross sections for CF3CH=CH2 (HFO-1243zf), potential replacement of CF3CH2F (HFC-134a).

Sergio González1, Elena Jiménez, Bernabé Ballesteros, Ernesto Martínez, José Albaladejo.   

Abstract

CF3CH=CH2 (hydrofluoroolefin, HFO-1243zf) is a potential replacement of high global-warming potential (GWP) hydrofluorocarbon (HFC-134a, CF3CFH2). Both the atmospheric lifetime and the radiative efficiency of HFO-1243zf are parameters needed for estimating the GWP of this species. Therefore, the aim of this work is (i) to estimate the atmospheric lifetime of HFO-1243zf from the reported OH rate coefficients, k OH, determined under tropospheric conditions and (ii) to calculate its radiative efficiency from the reported IR absorption cross sections. The OH rate coefficient at 298 K also allows the estimation of the photochemical ozone creation potential (ε(POCP)). The pulsed laser photolysis coupled to a laser-induced fluorescence technique was used to determine k OH for the reaction of OH radicals with HFO-1243zf as a function of pressure (50-650 Torr of He) and temperature (263-358 K). Gas-phase IR spectra of HFO-1243zf were recorded at room temperature using a Fourier transform IR spectrometer between 500 and 4,000 cm(-1). At all temperatures, k OH did not depend on bath gas concentration (i.e., on the total pressure between 50 and 650 Torr of He). A slight but noticeable T dependence of k OH was observed in the temperature range investigated. The observed behavior is well described by the following Arrhenius expression: k OH(T) = (7.65 ± 0.26) × 10(-13) exp [(165 ± 10) / T] cm(3) molecule(-1) s(-1). Negligible IR absorption of HFO-1243zf was observed at wavenumbers greater than 1,700 cm(-1). Therefore, IR absorption cross sections, [Formula: see text], were determined in the 500-1,700 cm(-1) range. Integrated [Formula: see text] were determined between 650 and 1,800 cm(-1) for comparison purposes. The main diurnal removal pathway for HFO-1243zf is the reaction with OH radicals, which accounts for 64% of the overall loss by homogeneous reactions at 298 K. Globally, the lifetime due to OH reaction (τ OH) was estimated to be 8.7 days under the assumption of a well-mixed atmosphere. Assuming other removal pathways, the atmospheric lifetime (τ) was estimated to be ∼6 days. Considering the estimated τ OH and the measured IR absorption cross sections of HFO-1243zf in the atmospheric window (720-1,250 cm(-1)), its lifetime corrected radiative efficiency was calculated to be 0.019 W m(-2) ppbv(-1). GWP100 years for the HFO investigated, 0.29, is negligible compared to that of HFC-134a, the HFC to be potentially replaced (GWP100 years = 1,300, Hodnebrog et al. (Rev Geophys 51:300-378, 2013)). ε POCP for HFO-1243zf was estimated to be around 1 order of magnitude lower than that for ethylene. In conclusion, HFO-1243zf is fast degraded in the atmosphere, and it does not appreciably contribute to global warming and local/regional air pollution. Therefore, HFO-1243zf can be a suitable replacement for HFC-134a in air conditioning units.

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Year:  2014        PMID: 25138554     DOI: 10.1007/s11356-014-3426-2

Source DB:  PubMed          Journal:  Environ Sci Pollut Res Int        ISSN: 0944-1344            Impact factor:   4.223


  12 in total

1.  CF3CF=CH2 and (Z)-CF3CF=CHF: temperature dependent OH rate coefficients and global warming potentials.

Authors:  Vassileios C Papadimitriou; Ranajit K Talukdar; R W Portmann; A R Ravishankara; James B Burkholder
Journal:  Phys Chem Chem Phys       Date:  2007-11-23       Impact factor: 3.676

2.  Laboratory studies of CHF2CF2CH2OH and CF3CF2CH2OH: UV and IR absorption cross sections and OH rate coefficients between 263 and 358 K.

Authors:  María Antiñolo; Sergio González; Bernabé Ballesteros; José Albaladejo; Elena Jiménez
Journal:  J Phys Chem A       Date:  2012-02-10       Impact factor: 2.781

3.  Mechanistic and kinetic study of CF3CH═CH2 + OH reaction.

Authors:  Yunju Zhang; Jingyu Sun; Kai Chao; Hao Sun; Fang Wang; ShuWei Tang; Xiumei Pan; Jingping Zhang; Rongshun Wang
Journal:  J Phys Chem A       Date:  2012-03-12       Impact factor: 2.781

4.  High-accuracy measurements of OH reaction rate constants and IR absorption spectra: CH2=CF-CF3 and trans-CHF=CH-CF3.

Authors:  Vladimir L Orkin; Larissa E Martynova; Alexander N Ilichev
Journal:  J Phys Chem A       Date:  2010-05-20       Impact factor: 2.781

5.  Rate coefficients for the gas-phase reaction of the hydroxyl radical with CH2=CHF and CH2=CF2.

Authors:  Munkhbayar Baasandorj; Gary Knight; Vassileios C Papadimitriou; Ranajit K Talukdar; A R Ravishankara; James B Burkholder
Journal:  J Phys Chem A       Date:  2010-04-08       Impact factor: 2.781

6.  Atmospheric chemistry of CF3CF═CH2 and (Z)-CF3CF═CHF: Cl and NO3 rate coefficients, Cl reaction product yields, and thermochemical calculations.

Authors:  Vassileios C Papadimitriou; Yannis G Lazarou; Ranajit K Talukdar; James B Burkholder
Journal:  J Phys Chem A       Date:  2010-12-15       Impact factor: 2.781

7.  Atmospheric chemistry of CF3CH=CH2 and C4F9CH=CH2: products of the gas-phase reactions with Cl atoms and OH radicals.

Authors:  T Nakayama; K Takahashi; Y Matsumi; A Toft; M P Sulbaek Andersen; O J Nielsen; R L Waterland; R C Buck; M D Hurley; T J Wallington
Journal:  J Phys Chem A       Date:  2007-02-08       Impact factor: 2.781

8.  Evidence for substantial variations of atmospheric hydroxyl radicals in the past two decades.

Authors:  R G Prinn; J Huang; R F Weiss; D M Cunnold; P J Fraser; P G Simmonds; A McCulloch; C Harth; P Salameh; S O'Doherty; R H Wang; L Porter; B R Miller
Journal:  Science       Date:  2001-05-03       Impact factor: 47.728

9.  Tropospheric reaction of OH with selected linear ketones: kinetic studies between 228 and 405 K.

Authors:  Elena Jiménez; Bernabé Ballesteros; Ernesto Martínez; José Albaladejo
Journal:  Environ Sci Technol       Date:  2005-02-01       Impact factor: 9.028

10.  Atmospheric chemistry of CF3CF2CHO: absorption cross sections in the UV and IR regions, photolysis at 308 nm, and gas-phase reaction with OH radicals (T = 263-358 K).

Authors:  María Antiñolo; Elena Jiménez; Sergio González; José Albaladejo
Journal:  J Phys Chem A       Date:  2013-12-17       Impact factor: 2.781

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  2 in total

1.  Atmospheric pollutants in a changing environment: key issues in reactivity and monitoring, global warming, and health.

Authors:  Elena Jiménez; Francisco J Tapiador; Francisco J Sáez-Martínez
Journal:  Environ Sci Pollut Res Int       Date:  2014-11-29       Impact factor: 4.223

2.  Rate constants for the reactions of OH radicals with CF3CX=CY2 (X = H, F, CF3, Y = H, F, Cl).

Authors:  Kazuaki Tokuhashi; Kenji Takizawa; Shigeo Kondo
Journal:  Environ Sci Pollut Res Int       Date:  2018-03-20       Impact factor: 4.223

  2 in total

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