Burkholder James B, Marshall Paul, Bera Partha P, Francisco Joseph S, Lee Timothy J
Earth System Research Laboratory, Chemical Sciences Division, National Oceanic and Atmospheric Administration, 325 Broadway, Boulder, Colorado 80305, United States.
Department of Chemistry, University of North Texas, 1155 Union Circle Box 305070, Denton, Texas 76203-5070, United States.
J Phys Chem A. 2020 Jun 11;124(23):4793-4800. doi: 10.1021/acs.jpca.0c02679. Epub 2020 May 27.
Hydrofluorocarbons (HFCs) are potent greenhouse gases that are potential substitutes for ozone depleting substances. The Kigali amendment lists 17 HFCs that are currently in commercial use to be regulated under the Montreal Protocol. Future commercial applications may explore the use of other HFCs, most of which currently lack an evaluation of their climate metrics. In this work, atmospheric lifetimes, radiative efficiencies (REs), global warming potentials (GWPs), and global temperature change potentials (GTPs) for all saturated HFCs with fewer than 5 carbon atoms are estimated to help guide future usage and policy decisions. Atmospheric lifetimes were estimated using a structure activity relationship (SAR) for OH radical reactivity and estimated O(D) reactivity. Radiative metrics were obtained using theoretically calculated infrared absorption spectra that were presented in a previous work. Calculations for some additional HFCs not included in the previous work were performed in this work. The HFCs display unique infrared spectra with strong absorption in the Earth's atmospheric infrared window region, primarily due to the C-F stretching vibration. Results from this study show that the HFC global atmospheric lifetimes and REs are dependent upon their H atom content and molecular structure. Therefore, the HFC radiative metric evaluation requires a case-by-case evaluation. A thorough experimental evaluation of a targeted HFC's atmospheric lifetime and climate metrics is always highly recommended. However, in cases where it is experimentally difficult to separate isomers, the new results from this study should help guide the experiments, as well as provide relevant climate metrics with uncertainties and policy relevant data.
氢氟碳化物(HFCs)是强效温室气体,是消耗臭氧层物质的潜在替代品。《基加利修正案》列出了17种目前正在商业使用的氢氟碳化物,将根据《蒙特利尔议定书》进行管控。未来的商业应用可能会探索使用其他氢氟碳化物,其中大多数目前尚未对其气候指标进行评估。在这项工作中,对所有碳原子数少于5个的饱和氢氟碳化物的大气寿命、辐射效率(REs)、全球变暖潜能值(GWPs)和全球温度变化潜能值(GTPs)进行了估算,以帮助指导未来的使用和政策决策。利用与OH自由基反应活性的结构活性关系(SAR)和估算的O(D)反应活性估算了大气寿命。辐射指标是使用先前工作中给出的理论计算红外吸收光谱获得的。在这项工作中,对先前工作未包括的一些额外氢氟碳化物进行了计算。氢氟碳化物呈现出独特的红外光谱,在地球大气红外窗口区域有强烈吸收,主要是由于C-F伸缩振动。这项研究的结果表明,氢氟碳化物的全球大气寿命和REs取决于其氢原子含量和分子结构。因此,对氢氟碳化物辐射指标的评估需要逐案评估。强烈建议对目标氢氟碳化物的大气寿命和气候指标进行全面的实验评估。然而,在通过实验难以分离异构体的情况下,本研究的新结果应有助于指导实验,并提供具有不确定性的相关气候指标和与政策相关的数据。