Direct and relative rate coefficients for the gas-phase reaction of OH radicals with 2-methyltetrahydrofuran at room temperature

Ádám Illés, Mária Farkas, Gábor László Zügner, Gyula Novodárszki, Magdolna Mihályi, Sándor Dóbé

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Abstract

2-Methyltetrahydrofuran (2-MTHF) is a renewable green solvent, a platform molecule for organic syntheses and a potential automotive fuel or fuel additive that can be produced efficiently from lignocellulosic biomass. Its reaction with OH radicals is important concerning both of its atmospheric fate and combustion. The kinetics of the overall reaction OH + 2-MTHF → products (1) was studied at room temperature (T = 298 ± 1 K) using both direct and relative kinetic methods. The low pressure fast discharge flow (DF) experiments coupled with resonance fluorescence detection of OH have provided the direct rate coefficient of k1 (298 K, 2.64 mbar He) = (1.21 ± 0.14 (±2σ)) × 10−11 cm3 molecule−1 s−1. The relative-rate experiments with gas-chromatographic analysis were performed at higher pressure in synthetic air using the reaction OH + cyclohexane (c-C6H12) → products (2) as reference. The determined rate coefficient ratio k1/k2 = 3.80 ± 0.17 (±2σ) has been converted to k1(298 K, 1030 mbar air) = (2.65 ± 0.55 (±2σ)) × 10−11 cm3 molecule−1 s−1. This k1 value agrees reasonably well with the only other rate coefficient reported which was determined also at higher pressures. Comparison with the DF result indicates a possible pressure dependence of the reaction. Impact of 2-MTHF on the chemistry of the atmosphere has been briefly discussed.

Original languageEnglish
Pages (from-to)5-18
Number of pages14
JournalReaction Kinetics, Mechanisms and Catalysis
Volume119
Issue number1
DOIs
Publication statusPublished - okt. 1 2016

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ASJC Scopus subject areas

  • Catalysis
  • Physical and Theoretical Chemistry

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