Atmospheric chemistry of CF3C CH: Kinetics, products, mechanism of gas-phase reaction with OH radicals, and atmospheric implications-an effort for novel ‘class’ of refrigerant

• Published in: Atmospheric environment (1994) Vol. 294; p. 119467
• Main Authors: Zhang, Tongyun, Zhang, Chengping, Ma, Xiaoxun, Quan, Hengdao
• Format: Journal Article
• Language: English
• Published: 01.02.2023
• Subjects: atmospheric chemistry; carbon dioxide; density functional theory; environment; ozone; photochemistry
• ISSN: 1352-2310
• DOI: 10.1016/j.atmosenv.2022.119467

We use the relative method to first evaluate the atmospheric chemistry of CF₃CCH that would play significant role in novel refrigerant development. We show that rate constant (kOH) for the gas-phase reaction of CF₃CCH with OH radicals at 298 K is measured to be (2.15 ± 0.02) × 10⁻¹³ cm³ molecule⁻¹ s⁻¹, with Arrhenius expression as kOH=(3.40 ± 0.46) × 10⁻¹² exp ((-832.70 ± 38.86)/T). Subject to the short atmospheric lifetime of CF₃CCH of 53.9 d and radiative efficiency of 0.071 W m⁻² ppb⁻¹, the global warming potentials (GWPs) for 20, 100, and 500 yr are 42, 11, and 3, respectively. CF₃CCH emissions are predicated to produce CO, CO₂, COF₂ and CF₃O₃CF₃ as the main carbon-containing products. The photochemical ozone creation potential of the CF₃CCH is 2.49 and 1.05 in Northwestern European and US urban areas, respectively. Density functional theory calculations further explained its possible degradation mechanism in atmosphere. Our work provides basic evidence for future molecular design of environmental-friendly CC containing substances.