An experimental and theoretical kinetic study of the reactions of hydroxyl radicals with tetrahydrofuran and two deuterated tetrahydrofurans

Illés, Ádám; Rózsa, Zsófia Borbála; Thangaraj, Ravikumar; Gombos, Erzsébet; Dóbé, Sándor; Giri, Binod Raj; Szőri, Milán

doi:10.1016/j.cplett.2021.138698

Cited by 7 publications

(15 citation statements)

References 43 publications

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“…(see Table 3). to those of Angelaki et al 122 The solid line is a fit of the measurements to a modified Arrhenius expression were used by Illeś et al 115 The results from these studies agree to within 22%. Ravishankara et al, 111 Wallington et al, 112 and Moriarty et al 113 applied absolute methods to determine the roomtemperature (296−300 K) rate coefficient of the THF + OH reaction under pseudo-first-order conditions in excess of THF.…”

Section: Tetrahydrofuran + Ohmentioning

confidence: 58%

Emissions and Atmospheric Chemistry of Furanoids from Biomass Burning: Insights from Laboratory to Atmospheric Observations

Romanias,

Coggon,

Al Ali

et al. 2024

ACS Earth Space Chem.

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Furanoids are a class of reactive volatile organic compounds that are major products from the pyrolysis and combustion of biomass polymers, including cellulose, hemicellulose, and lignin. Biomass burning is an atmospheric source of furanoids that is increasing in frequency and intensity throughout regions of the world. Once emitted to the atmosphere, furanoids may react with the major atmospheric oxidants to form secondary pollutants that are hazardous to human health, including ozone (O 3 ) and secondary organic aerosol (SOA). This review is a comprehensive assessment of the literature between 1977 and the present describing the emissions and atmospheric fate of furanoids emitted from wild, prescribed, and domestic fires. The review is organized by presenting the physical properties of key furanoids first, followed by a summary of the biopolymer pyrolysis and combustion reactions that lead to furanoid formation. Next, furanoid emissions factors are compiled across the typical fuels consumed by biomass burning to highlight the key species emitted in smoke. We next review the available kinetic and atmospheric degradation mechanism data that characterize the reaction rates, gas-phase products, and SOA formed as a result of furanoid reactions with OH, NO 3 , O 3 , and Cl radicals. We then describe studies that have focused on evaluating furanoid atmospheric chemistry and their impacts on air quality using a combination of field observations and model simulations. We conclude with a perspective that identifies future research directions that would address key data gaps and improve the understanding of furanoid atmospheric processes.

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Section: Tetrahydrofuran + Ohmentioning

confidence: 58%

Emissions and Atmospheric Chemistry of Furanoids from Biomass Burning: Insights from Laboratory to Atmospheric Observations

Romanias,

Coggon,

Al Ali

et al. 2024

ACS Earth Space Chem.

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“…The stabilization of the complexes observed here is similar to the reactions of OH with other VOCs. 31–38 Stabilization of RCg is comparable to other H-bonded reactant complexes formed during the reactions of VOCs and OVOCs with OH radicals. Illés et al 31 reported the formation of H-bonded and van der Waals complexes with relative energies of 5.45 kcal mol −1 and 1.24 kcal mol −1 , respectively, in the reaction of tetrahydrofuran with OH radicals.…”

Section: Resultsmentioning

confidence: 78%

“…31–38 Stabilization of RCg is comparable to other H-bonded reactant complexes formed during the reactions of VOCs and OVOCs with OH radicals. Illés et al 31 reported the formation of H-bonded and van der Waals complexes with relative energies of 5.45 kcal mol −1 and 1.24 kcal mol −1 , respectively, in the reaction of tetrahydrofuran with OH radicals. For the reaction of dimethyl carbonate (DMC) with OH radicals, Khaled et al 32 reported the formation of reactant complexes in the main channel with a similar stabilization (−5.35 kcal mol −1 ).…”

Section: Resultsmentioning

confidence: 78%

Photo-oxidation reaction of tert-butyl chloride with OH radicals and Cl atoms in the troposphere and its implications

Joy

Rajakumar

2023

Phys. Chem. Chem. Phys.

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“…In the low-temperature oxidation regime below 900 Chakravarty and Fernandes [608] and Illés et al [607], from THP by Tran et al [196], from 1,4-dioxane and 1,3,5-trioxane by Saheb and Bahadori [609], and from lactones by Barnes et al. [604] and De Bruycker et al [259].…”

Section: H-abstraction Reactionsmentioning

confidence: 99%

“…Most experimental studies date back to before 2000, e.g [591][592][593][594][595][596][597][598][599][600][601],. while rather few recent experimental studies are known[602][603][604][605][606][607]. A few examples of theoretical studies of specific molecules are H-abstractions from substituted THF by, e.g., Simmie[90],…”

mentioning

confidence: 99%

Chemical kinetics of cyclic ethers in combustion

Tran

Herbinet

Carstensen

et al. 2022

Progress in Energy and Combustion Science

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An experimental and theoretical kinetic study of the reactions of hydroxyl radicals with tetrahydrofuran and two deuterated tetrahydrofurans

Cited by 7 publications

References 43 publications

Emissions and Atmospheric Chemistry of Furanoids from Biomass Burning: Insights from Laboratory to Atmospheric Observations

Emissions and Atmospheric Chemistry of Furanoids from Biomass Burning: Insights from Laboratory to Atmospheric Observations

Photo-oxidation reaction of tert-butyl chloride with OH radicals and Cl atoms in the troposphere and its implications

Chemical kinetics of cyclic ethers in combustion

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