Studies of pyrolysis and oxidation of methyl formate using molecular beam mass spectrometry

Naoki Kurimoto, Xueliang Yang, Yiguang Ju

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular beam mass spectrometry with electron impact ionization coupled with a quartz flow reactor has been employed to study the pyrolysis and the oxidation mechanism of methyl formate (MF) at atmospheric pressure. The measurement was carried out with a mixture of gas phase at 5000 ppm MF in Helium and Argon dilution in the temperature range from 500 K to 1000 K with the reaction residence time of 600 milliseconds. Important stable species such as methanol, carbon monoxide, carbon dioxide, formaldehyde, water as well as radical species such as HCO were quantified in the mass spectrum. Effect of electron impact fragmentation of MF and methanol on species measurements is calibrated and subtracted. Experimental uncertainty is estimated to be approximately 10% for MF at 95% confidence. The experimental results showed that pyrolysis and oxidation take place for the temperature higher than 700 K with the increase of products such as methanol, carbon monoxide and carbon dioxide. Numerical simulations using a Princeton Ester-Mech kinetic model and a LLNL model have been performed. The results show that the model under-predicts the formation of CO for the pyrolysis study and CO2 for the oxidation study, respectively. The discrepancy between the measured and the predicted profile implies that the reaction pathways for hydrogen abstractions from MF forming CH2OCHO and CH3OCO are under-predicted in the modeling.

Original languageEnglish (US)
Title of host publication8th US National Combustion Meeting 2013
PublisherWestern States Section/Combustion Institute
Pages198-207
Number of pages10
ISBN (Electronic)9781627488426
StatePublished - Jan 1 2013
Event8th US National Combustion Meeting 2013 - Park City, United States
Duration: May 19 2013May 22 2013

Publication series

Name8th US National Combustion Meeting 2013
Volume1

Other

Other8th US National Combustion Meeting 2013
CountryUnited States
CityPark City
Period5/19/135/22/13

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Mechanical Engineering
  • Physical and Theoretical Chemistry

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  • Cite this

    Kurimoto, N., Yang, X., & Ju, Y. (2013). Studies of pyrolysis and oxidation of methyl formate using molecular beam mass spectrometry. In 8th US National Combustion Meeting 2013 (pp. 198-207). (8th US National Combustion Meeting 2013; Vol. 1). Western States Section/Combustion Institute.