Atmospheric chemistry of CF<inf>3</inf>C<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow><mo>≡</mo></mrow></math>CCF<inf>3</inf>: Kinetics, products, mechanism of gas-phase reaction with OH radicals, and atmospheric implications: Fid-Bau Portal

Atmospheric chemistry of CF3C $\equiv$ CCF3: Kinetics, products, mechanism of gas-phase reaction with OH radicals, and atmospheric implications

Zhang, Qiyan / Qin, Sheng / Guo, Zhikai / Ni, Hang / Zhang, Jianjun

Abstract

Abstract The CF3C $\equiv$ CCF3 reaction offers a potential alternative to greenhouse gas-producing reactions in a wide range of industrial applications; however, a better understanding of its impacts on the atmospheric environment is needed before it can be safely and effectively applied on a large scale. In this study, the rate constant (k1) for the reaction of CF3C $\equiv$ CCF3 with OH was measured to be (7.28 ± 0.07) × 10⁻¹⁴ by the relative rate method, and the Arrhenius expression was k1 (253–328 K) = (1.53 ± 0.44) × 10⁻¹² exp[–(906 ± 97)/T] cm³ molecule⁻¹ s⁻¹. The atmospheric lifetime of CF3C $\equiv$ CCF3 was estimated to be 159 d, while its radiative efficiency was determined to be 0.250 Wm⁻² ppb⁻¹. The 20-, 100-, and 500-year global warming potentials of CF3C $\equiv$ CCF3 were estimated to be 152, 41, and 12, respectively. What's more, the photochemical ozone creation potentials of CF3C $\equiv$ CCF3 were estimated to be 0.50 and 0.13 for northwestern European conditions and US urban conditions, respectively. Hence, its contribution to the formation of tropospheric ozone is negligible. What's more, CF3OOOCF3, COF2, and CO2 were identified as carbon-containing products following the degradation of CF3C $\equiv$ CCF3. Our results confirm that there is no secondary environmental pollution following the degradation of CF3C $\equiv$ CCF3. Hence, the findings show that CF3CCCF3 is a substitute with relatively low environmental impact.

Highlights • The CF3C $\equiv$ CCF3 reaction has significant potential for industrial application. • Rate constant (k1) with OH is 7.28 ± 0.07 × 10⁻¹⁴; atmospheric lifetime is ~159 d. • Radiative efficiency is 0.250Wm⁻² ppb⁻1; POCPs are 0.13–0.50 • 20-, 100-, and 500-year GWPs = 152, 41, and 12, respectively. • CF3OOOCF3, COF2, and CO2 are the carbon-containing products.