The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3

Li, Weiran; Dan, Guomin; Chen, Mei‐Fang; Chen, Yi; Wang, Zhen; Zhao, Yao; Wang, Fuyi; Li, Fangjie; Tong, Shengrui; Ge, Maofa

doi:10.1016/j.atmosenv.2021.118394

Cited by 3 publications

(6 citation statements)

References 57 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This adds to the kinetic information concerning the reaction of these two compounds with NO3 and O3 reported previously (Sato et al, 2004;Canosa-Mas et al 2005;Illmann et al 2021;Li et al, 2021) in an effort to complete the gaps in the knowledge needed for modelling chemistry in the atmosphere. The yields for the identified products formed in both target reactions were found to be independent of the used chamber, the mixing ratios and the light intensity, thus giving confidence in the experimental results.…”

Section: Atmospheric Implications and Conclusionmentioning

confidence: 83%

“…Up to date, only the OH radical reaction of MVK has been intensively studied, proving formaldehyde and methyl glyoxal as main oxidation products (Tuazon and Atkinson, 1987;Praske et al, 2015). Some attention was given also to the reaction of both 3M3P2 and 4M3P2, investigated in the present study, with O3 and to the 3M3P2 + Cl and 3M3P2 + NO3 system (Sato et al, 2004;Canosa-Mas et al, 2005;Wang et al, 2015;Illmann et al, 2021;Li et al, 2021). Gaona-Colmán et al (2017) investigated the OH radical reaction of 4M3P2.…”

Section: Introductionmentioning

confidence: 78%

See 1 more Smart Citation

Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Illmann¹,

Gibilisco²,

Bejan³

et al. 2021

Preprint

View full text Add to dashboard Cite

Abstract. The OH radical initiated oxidation of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one was investigated in two atmospheric simulation chambers at 298 ± 3 K and 990 ± 15 mbar using long-path FTIR spectroscopy. The rate coefficients of the reactions of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one with OH radicals were determined to be (6.5 ± 1.2) × 10−11 cm3 molecule−1 s−1 and (8.1 ± 1.3) × 10−11 cm3 molecule−1 s−1, respectively. To enlarge the kinetics data pool the rate coefficients of the target species with Cl atoms were determined to be (2.8 ± 0.4) × 10−10 cm3 molecule−1 s−1 and (3.1 ± 0.4) × 10−10 cm3 molecule−1 s−1, respectively. The mechanistic investigation of the OH initiated oxidation focuses on the RO2 + NO reaction. The quantified products were acetoin, acetaldehyde, biacetyl, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 3-methyl-3-penten-2-one with OH radicals and acetone, methyl glyoxal, 2-hydroxy-2-methylpropanal, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 4-methyl-3-penten-2-one with OH, respectively. Based on the calculated product yields an upper limit of 0.15 was determined for the overall organic nitrates (RONO2) yield derived from the OH reaction of 4-methyl-3-penten-2-one. By contrast, no RONO2 formation was observed for the OH reaction of 3-methyl-3-penten-2-one. Additionally, a simple model is presented to correct product yields for secondary processes.

show abstract

Section: Atmospheric Implications and Conclusionmentioning

confidence: 83%

Section: Introductionmentioning

confidence: 78%

Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Illmann¹,

Gibilisco²,

Bejan³

et al. 2021

Preprint

View full text Add to dashboard Cite

show abstract

“…Within this work we determined the rate coefficients for the OH radical and Cl atom-initiated oxidation of 3M3P2 and 4M3P2. This adds to the kinetic information concerning the reaction of these two compounds with NO 3 and O 3 reported previously (Sato et al, 2004;Canosa-Mas et al, 2005;Illmann et al, 2021a;Li et al, 2021) in an effort to complete the gaps in the knowledge needed for modelling chemistry in the atmosphere. The yields for the identified products formed in both target reactions were found to be independent of the chamber used, the mixing ratios and the light intensity, thus giving confidence in the experimental results.…”

Section: Atmospheric Implications and Conclusionmentioning

confidence: 82%

“…Praske et al (2015) also found a low RONO 2 yield of about 4 %. Some attention was also given to the reaction of both 3M3P2 and 4M3P2, investigated in the present study, with O 3 and to the 3M3P2+Cl and 3M3P2+NO 3 system (Sato et al, 2004;Canosa-Mas et al, 2005;Wang et al, 2015;Illmann et al, 2021a;Li et al, 2021). Gaona-Colmán et al (2017) investigated the OH radical reaction of 4M3P2.…”

Section: Introductionmentioning

confidence: 82%

“…Estimated tropospheric lifetimes for the studied α,β-unsaturated ketones. The lifetimes were calculated using the following concentrations: a global mean of 1 × 10 6 molecules cm −3 (Bloss et al, 2005), b 12 h average of 3 × 10 4 molecules cm −3 (Wingenter et al, 1996), c 24 h average of 7 × 10 11 molecules cm −3 (Logan, 1985), and d 12 h average of 5 × 10 8 molecules cm −3 (Atkinson, 1991 Noda et al (2000) determined an average absorption cross section of (1.25±0.20)× 10 −17 cm molecule −1 (base 10) for the nitrooxy group absorption in the range 800-900 cm −1 by averaging available absorption cross sections of organic nitrates. Following this approach, an estimated RONO 2 yield of 0.06 ± 0.03 is determined, which should be regarded as lower limit.…”

Section: Rono 2 Formationmentioning

confidence: 99%

See 1 more Smart Citation

Atmospheric oxidation of <i>α</i>,<i>β</i>-unsaturated ketones: kinetics and mechanism of the OH radical reaction

et al. 2021

View full text Add to dashboard Cite

Abstract. The OH-radical-initiated oxidation of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one was investigated in two atmospheric simulation chambers at 298±3 K and 990±15 mbar using long-path FTIR spectroscopy. The rate coefficients of the reactions of 3-methyl-3-penten-2-one and 4-methyl-3-penten-2-one with OH radicals were determined to be (6.5±1.2)×10-11 and (8.1±1.3)×10-11 cm3molecule-1s-1, respectively. To enlarge the kinetics data pool the rate coefficients of the target species with Cl atoms were determined to be (2.8±0.4)×10-10 and (3.1±0.4)×10-10 cm3molecule-1s-1, respectively. The mechanistic investigation of the OH-initiated oxidation focuses on the RO2+NO reaction. The quantified products were acetoin, acetaldehyde, biacetyl, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 3-methyl-3-penten-2-one with OH radicals and acetone, methyl glyoxal, 2-hydroxy-2-methylpropanal, CO2 and peroxyacetyl nitrate (PAN) for the reaction of 4-methyl-3-penten-2-one with OH, respectively. Based on the calculated product yields an upper limit of 0.15 was determined for the yield of RONO2 derived from the OH reaction of 4-methyl-3-penten-2-one. By contrast, no RONO2 formation was observed for the OH reaction of 3-methyl-3-penten-2-one. Additionally, a simple model is presented to correct product yields for secondary processes.

show abstract

Kinetics, products and mechanisms of unsaturated alcohols and NO3 radicals

Hu,

Tong,

et al. 2024

Atmospheric Environment

View full text Add to dashboard Cite

The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3

Cited by 3 publications

References 57 publications

Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Atmospheric oxidation of <i>α</i>,<i>β</i>-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Kinetics, products and mechanisms of unsaturated alcohols and NO3 radicals

Contact Info

Product

Resources

About

The gas-phase reaction kinetics of different structure of unsaturated alcohols and ketones with O3

Cited by 3 publications

References 57 publications

Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Atmospheric oxidation of α,β-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Atmospheric oxidation of &lt;i&gt;α&lt;/i&gt;,&lt;i&gt;β&lt;/i&gt;-unsaturated ketones: kinetics and mechanism of the OH radical reaction

Kinetics, products and mechanisms of unsaturated alcohols and NO3 radicals

Contact Info

Product

Resources

About

Atmospheric oxidation of <i>α</i>,<i>β</i>-unsaturated ketones: kinetics and mechanism of the OH radical reaction