Temperature dependent rate coefficients for the gas-phase OH + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction

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Authors of the article assert that rate coefficients, k1(T), for the gas-phase reaction of the OH radical with Furan-2,5-dione (maleic anhydride (MA), C4H2O3), a biomass burning related compound, were measured under pseudo first-order conditions in OH using the pulsed laser photolysis - laser induced fluorescence method over a range of temperature and bath gas pressure. Their results are compared with a previous room temperature relative rate study of the OH + MA reaction and significant discrepancy between the studies is discussed. This is the accepted manuscript version of the published article.

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Chattopadhyay, Aparajeo; Papadimitriou, Vassileios C.; Marshall, Paul & Burkholder, James B. (James Bart), 1954- May 30, 2020.

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  • Main Title: Temperature dependent rate coefficients for the gas-phase OH + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction
  • Alternate Title: Temperature dependent rate coefficients for the gas-phase OH + Furan-2,5-dione (C₄H₂O₃, maleic anhydride) reaction

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Authors of the article assert that rate coefficients, k1(T), for the gas-phase reaction of the OH radical with Furan-2,5-dione (maleic anhydride (MA), C4H2O3), a biomass burning related compound, were measured under pseudo first-order conditions in OH using the pulsed laser photolysis - laser induced fluorescence method over a range of temperature and bath gas pressure. Their results are compared with a previous room temperature relative rate study of the OH + MA reaction and significant discrepancy between the studies is discussed. This is the accepted manuscript version of the published article.

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21 p.

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Abstract: Rate coefficients, k1(T), for the gas-phase reaction of the OH radical with Furan-2,5-dione (maleic anhydride (MA), C4H2O3), a biomass burning elated compound, were measured under pseudo first-order conditions in OH using the pulsed laser photolysis - laser induced fluorescence (PLP-LIF) method over a range of temperature (283-374 K) and bath gas pressure (50-200 Torr; He or N2). k1(T) was found to be independent of pressure over this range with k1(283-374 K) = (1.55 ± 0.20) x 10-12 exp [(-410 ± 44)/T) cm3 molecule -1 s-1 and k1(296 K) = (3.93 ± 0.28) x 10-13 cm3 molecule -1 s-1, where the uncertainties are 2o and the pre-exponential term includes the estimated systematic error. The atmospheric lifetime of MA with respect to OH reactive loss is estimated to be ~15 days. The present results are compared with a previous room temperature relative rate study of the OH + MA reaction and the significant discrepancy between the studies is discussed; the present results are approximately a factor of 4 lower. It is also noteworthy that the experimentally measured k1 (296 K) value obtained in this work is nearly a factor of 110 less than estimated by a structure activity relationship based on trends in ionization potential. Based in part on a computational evaluation, an atmospheric degradation mechanism of MA is proposed.

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  • International Journal of Chemical Kinetics, 52(10), John Wiley & Sons, May 30, 2020, pp. 1-21

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  • Publication Title: International Journal of Chemical Kinetics
  • Volume: 52
  • Issue: 10
  • Peer Reviewed: Yes

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  • May 30, 2020

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  • Jan. 23, 2024, 8:56 p.m.

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  • Feb. 7, 2024, 1:17 p.m.

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Chattopadhyay, Aparajeo; Papadimitriou, Vassileios C.; Marshall, Paul & Burkholder, James B. (James Bart), 1954-. Temperature dependent rate coefficients for the gas-phase OH + Furan-2,5-dione (C4H2O3, maleic anhydride) reaction, article, May 30, 2020; (https://digital.library.unt.edu/ark:/67531/metadc2243707/: accessed January 17, 2025), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT College of Science.

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