Atmospheric chemistry of E-CF3CH=CHCF3: Reaction kinetics of OH radicals and products of OH-initiated oxidation

被引：4

作者：

Qing, Feiyao ^{[1
,2
]}

Guo, Qin ^{[1
,2
]}

Chen, Liang ^{[2
]}

Quan, Hengdao ^{[1
,2
]}

Mizukado, Junji ^{[2
]}

机构：

[1] Beijing Inst Technol, Sch Chem & Chem Engn, 5 South Zhongguancun St, Beijing 100081, Peoples R China

[2] Natl Inst Adv Ind Sci & Technol, 1-1-1 Higashi, Tsukuba, Ibaraki 3058565, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 706卷

关键词：

E-CF3CH=CHCF3; Global warming potential (GWP); Photochemical ozone creation potential (POCP); Degradation mechanism; OZONE CREATION POTENTIALS; GAS-PHASE REACTIONS; ORGANIC-COMPOUNDS; RATE CONSTANTS;

D O I：

10.1016/j.cplett.2018.05.023

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The reaction rate coefficients for the E-CF3CH=CHCF3 with OH were measured using the relative rate method: k (298 K) = (1.10 +/- 0.02)x10(-13) and k (253-328 K) = (4.80 +/- 0.92)x10(-13) exp [-(445 +/- 28)/T] cm(3) molecule(-1) s(-1). The atmospheric lifetime was 105 d, and the radiative efficiency (RE) was 0.171 Wm(-2) ppb(-1). The estimated POCPs were evaluated as 0.8 and 0.3 under North-west European and USA urban conditions, respectively. The global warming potential was estimated as 7 for the global 100-year time horizon. CF3OOOCF3, CF3C(O) H, COF2, CO, and CO2 were observed as carbon-containing products. (C) 2018 Published by Elsevier B.V.

引用

页码：93 / 98

页数：6

共 50 条

[41] Atmospheric insight into the reaction mechanism and kinetics of isopropenyl methyl ether (i-PME) initiated by OH radicals and subsequent oxidation of product radicals
Baruah, Satyajit Dey
Deka, Ramesh Chandra
Gour, Nand Kishor
Paul, Subrata
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH, 2021, 28 (33) : 45646 - 45662
[42] A theoretical insight on the kinetics for the reaction of (E)-/(Z)-CHF = CF (CF2)x=1,2CF3 with OH radicals under tropospheric conditions
Gupta, Parth
Rajakumar, B.
JOURNAL OF FLUORINE CHEMISTRY, 2019, 222 : 31 - 45
[43] Kinetics and Mechanism of the OH Radicals-Initiated Oxidation of 3-Methyl-3-penten-2-one in the Atmosphere
Du, Benni
Zhang, Weichao
ACS EARTH AND SPACE CHEMISTRY, 2025, : 923 - 933
[44] Mechanism, kinetics and atmospheric fate of CF3CH=CH2, CF3CF=CH2, and CF3CF=CF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods
Balaganesh, M.
Rajakumar, B.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 48 : 60 - 69
[45] Tropospheric Oxidation of Dichlorotetrafluoropropene (CF3-CF=CCl2) Initiated by OH Radical: Reaction Mechanisms, Kinetic Studies, and Atmospheric Implications
Changmai, Rabu Ranjan
Sarma, Manabendra
ACS EARTH AND SPACE CHEMISTRY, 2022, : 1782 - 1792
[46] Kinetics and mechanism of •OH-initiated atmospheric oxidation of organophosphorus plasticizers: A computational study on tri-p-cresyl phosphate
Li, Chao
Zheng, Shanshan
Chen, Jingwen
Xie, Hong-Bin
Zhang, Ya-Nan
Zhao, Yuanhui
Du, Zheng
CHEMOSPHERE, 2018, 201 : 557 - 563
[47] Atmospheric oxidation of dichlorodiphenyltrichloroethane (DDT) initiated by OH and NO3 radicals: A quantum chemical investigation
Wang, Shengming
Sun, Fanghan
Wang, Xiujun
Wei, Yuanyuan
Li, Lei
Wang, Wei
Zhang, Ruiming
Ding, Zhezheng
Dang, Juan
Xu, Fei
Wang, Wengxing
Huo, Xinxi
Zhang, Qingzhu
Wang, Qiao
CHEMICAL PHYSICS LETTERS, 2022, 787
[48] Theoretical Study on the Mechanisms, Kinetics, and Toxicity Evaluation of OH-Initiated Atmospheric Oxidation Reactions of Coniferyl Alcohol
Zhang, Yu
Wei, Bo
Tang, Rongzhi
ATMOSPHERE, 2023, 14 (06)
[49] Theoretical studies on atmospheric chemistry of CHF2CF2CH2OH: Reaction with OH radicals, lifetime and global warming potentials
Baidya, Bidisha
Lily, Makroni
Chandra, Asit K.
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 1119 : 1 - 9
[50] Theoretical investigation on the mechanisms and kinetics of OH/NO3-initiated atmospheric oxidation of vanillin and vanillic acid
Sun, Yanhui
Liu, Lin
Li, Ming
Chen, Xiaoxiao
Xu, Fei
CHEMOSPHERE, 2022, 288

← 1 2 3 4 5 →