Atmospheric oxidation of 4‐( 2‐methoxyethyl ) phenol initiated by OH radical in the presence of O 2 and NO x : A mechanistic and kinetic study
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.26650
Abstract: 4-(2-Methoxyethyl) phenol (MEP) is an significant methoxypheolic compound, which has been shown to play an important role in the formation of secondary organic aerosols(SOA). The present work focuses on the gas-phase oxidation mechanism and kinetics… read more here.
Keywords: oxidation; atmospheric oxidation; methoxyethyl phenol; mep ... See more keywords
Theoretical evidence for the formation of perfluorocarboxylic acids form atmospheric oxidation degradation of fluorotelomer acrylates
Sign Up to like & getrecommendations! Published in 2022 at "Environmental Science and Pollution Research"
DOI: 10.1007/s11356-022-19788-6
Abstract: The atmospheric oxidation degradation of fluorotelomer acrylates (FTAcs) has been proposed as a potential source of perfluorocarboxylic acids (PFCAs) in remote locations. In this paper, detailed reactions of the main oxidant OH radicals with 4:2… read more here.
Keywords: oxidation; atmospheric oxidation; fluorotelomer; oxidation degradation ... See more keywords
Insights into atmospheric oxidation capacity and its impact on PM2.5 in megacity Beijing via volatile organic compounds measurements
Sign Up to like & getrecommendations! Published in 2021 at "Atmospheric Research"
DOI: 10.1016/j.atmosres.2021.105632
Abstract: Abstract This study conducted a VOCs monitoring campaign in Jul and Oct of 2018, Jan and Apr of 2019 in Beijing urban area, to explore the atmospheric oxidation capacity and its impact on PM2.5 there… read more here.
Keywords: atmospheric oxidation; oxidation capacity; jul; pm2 ... See more keywords
OH-initiated atmospheric oxidation mechanism of 1-chloropyrene: a theoretical study
Sign Up to like & getrecommendations! Published in 2017 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2017.06.011
Abstract: Abstract The atmospheric oxidation mechanism of 1-chloropyrene (1-ClPy) initiated by OH radical was studied using density functional theory calculations. The molecular structures of all stationary points included in the studied reactions were optimized at the… read more here.
Keywords: mechanism chloropyrene; oxidation mechanism; oxidation; atmospheric oxidation ... See more keywords
Computational kinetic study on atmospheric oxidation reaction mechanism of 1-fluoro-2-methoxypropane with OH and ClO radicals
Sign Up to like & getrecommendations! Published in 2020 at "Journal of King Saud University - Science"
DOI: 10.1016/j.jksus.2018.08.011
Abstract: Abstract The knowledge of atmospheric chemistry has explained several reactions that occur in atmosphere regarding volatile organic compounds (VOCs). In this original paper, computational kinetic study was carried out on atmospheric oxidation reaction mechanism of… read more here.
Keywords: clo radicals; computational kinetic; kinetic study; reaction ... See more keywords
New Mechanistic Insights into Atmospheric Oxidation of Aniline Initiated by OH Radicals.
Sign Up to like & getrecommendations! Published in 2021 at "Environmental science & technology"
DOI: 10.1021/acs.est.1c01865
Abstract: This study theoretically reports the comprehensive kinetic mechanism of the aniline + OH reaction in the range of 200-2000 K and 0.76-7600 Torr. The temperature- and pressure-dependent behaviors, including time-resolved species profiles and rate coefficients,… read more here.
Keywords: oxidation aniline; aniline; atmospheric oxidation; new mechanistic ... See more keywords
Atmospheric Oxidation of Piperazine Initiated by ·Cl: Unexpected High Nitrosamine Yield.
Sign Up to like & getrecommendations! Published in 2018 at "Environmental science & technology"
DOI: 10.1021/acs.est.8b02510
Abstract: Chlorine radicals (·Cl) initiated amine oxidation plays an important role for the formation of carcinogenic nitrosamine in the atmosphere. Piperazine (PZ) is considered as a potential atmospheric pollutant since it is an alternative solvent to… read more here.
Keywords: oxidation; atmospheric oxidation; yield; unexpected high ... See more keywords
Comprehensive Insights Into O3 Changes During the COVID‐19 From O3 Formation Regime and Atmospheric Oxidation Capacity
Sign Up to like & getrecommendations! Published in 2021 at "Geophysical Research Letters"
DOI: 10.1029/2021gl093668
Abstract: Economic activities and the associated emissions have significantly declined during the 2019 novel coronavirus (COVID‐19) pandemic, which has created a natural experiment to assess the impact of the emitted precursor control policy on ozone (O3)… read more here.
Keywords: comprehensive insights; atmospheric oxidation; oxidation capacity; formation ... See more keywords
The atmospheric oxidation mechanism and kinetics of 1,3,5-trimethylbenzene initiated by OH radicals – a theoretical study
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DOI: 10.1039/c7nj01285c
Abstract: The reaction of 1,3,5-trimethylbenzene (TMB) with OH radicals is studied theoretically by using electronic structure calculations. The reaction of TMB with OH radicals is found to proceed by H-atom abstraction and OH addition reactions at… read more here.
Keywords: oxidation mechanism; theoretical study; atmospheric oxidation; formation ... See more keywords
First principle studies on the atmospheric oxidation of HFC-C1436 initiated by the OH radical
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DOI: 10.1039/c9nj04908h
Abstract: The atmospheric oxidation mechanism and kinetics of 3,3,4,4,5,5-hexafluorocyclopentene (HFC-C1436) initiated by the OH radical have been investigated using electronic structure calculations. Canonical variation transition state theory was employed to predict the rate constant for the… read more here.
Keywords: hfc c1436; c1436 initiated; initiated radical; atmospheric oxidation ... See more keywords
Degradation of Superconducting Nb/NbN Films by Atmospheric Oxidation
Sign Up to like & getrecommendations! Published in 2017 at "IEEE Transactions on Applied Superconductivity"
DOI: 10.1109/tasc.2017.2669583
Abstract: Niobium and niobium nitride thin films are transitioning from fundamental research toward wafer scale manufacturing with technology drivers that include superconducting circuits and electronics, optical single photon detectors, logic, and memory. Successful microfabrication requires precise… read more here.
Keywords: superconducting nbn; oxidation; degradation superconducting; films atmospheric ... See more keywords