CHARACTERIZATION OF REACTION PATHWAYS IN LOW TEMPERATURE OXIDATION OF TETRAHYDROFURAN WITH MULTIPLEXED PHOTOIONIZATION MASS SPECTROMETRY TECHNIQUE

Antonov, Ivan

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https://hdl.handle.net/2142/79420 Copy

Description

Title

CHARACTERIZATION OF REACTION PATHWAYS IN LOW TEMPERATURE OXIDATION OF TETRAHYDROFURAN WITH MULTIPLEXED PHOTOIONIZATION MASS SPECTROMETRY TECHNIQUE

Author(s)

Antonov, Ivan

Contributor(s)

Sheps, Leonid

Issue Date

24-Jun-15

Keyword(s)

Mini-symposium: Accelerator-Based Spectroscopy

Abstract

Tetrahydrofuran (THF) is a prototype biofuel and a common intermediate in combustion of alkanes and alkenes. Photolytic Cl atom-initiated oxidation of THF was studied with multiplexed photoionization mass spectrometry (MPIMS) technique at temperatures 400-650 K and pressures 0.005-2 bar. Photoionization spectra and kinetic time traces were recorded simultaneously for all mass channels. Photoionization spectra, recorded with tunable VUV synchrotron radiation, were used to separate and identify isomers with the same nominal molecular formula, providing mechanistic insight into the the underlying kinetics. Our study suggests that formation of alkylperoxy radicals and their subsequent isomerization to hydroperoxyalkyl radicals plays an important role in low temperature oxidation of THF, while ring opening of THF$_{-H}$ radical (which dominates THF oxidation at T$>$800 K) is less important at our conditions.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79420

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