Formation of Oxygenated and Hydrocarbon Intermediates in Premixed Combustion of 2-Methylfuran

Journal Article · Fri Nov 28 00:00:00 EST 2014 · Zeitschrift fuer Physikalische Chemie

DOI:https://doi.org/10.1515/zpch-2014-0606· OSTI ID:1760452

Moshammer, Kai ^[1]; Lucassen, Arnas ^[2]; Togbé, Casimir ^[1]; Kohse-Höinghaus, Katharina ^[1]; Hansen, Nils ^[2]

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1. Bielefeld University (Germany)
2. Sandia National Lab. (SNL-CA), Livermore, CA (United States)

This paper focuses on the combustion chemistry of 2-methylfuran (2-MF), a potential biofuel, and it is built on the previous work of Tran et al. [Combust. Flame 161 (2014) 766]. In their work, they had combined detailed flame chemistry modeling with flame speciation data based on flame-sampling molecular beam mass spectrometry (MBMS) with electron ionization and gas chromatography with MS detection. In this work, we significantly extend those previous studies by in-situ isomer-resolving species identification and quantification. Specifically, we have determined the detailed chemical structure of a premixed laminar 2-MF flame using flame-sampling high-resolution MBMS with synchrotron-generated vacuum-ultraviolet radiation. Mole fraction profiles of 60 intermediate, reactant, and product species were measured in order to assess the pollutant potential of this possible next-generation biofuel. Special emphasis is paid towards the fuel's ability to form aromatic and oxygenated intermediates during incomplete combustion processes, with the latter species representing a variety of different classes including alcohols, ethers, enols, ketones, aldehydes, acids, and ketenes. Whenever possible the experimental data are compared to the results of model calculations using the 2-MF combustion chemistry model of Tran et al., but it should be noted that many newly detected species are not included in the calculations. The experimental data presented in this work provides guidance towards to development of a next-generation 2-MF combustion chemistry model.

• Research Organization: Sandia National Laboratories (SNL-CA), Livermore, CA (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• Grant/Contract Number: AC04-94AL85000
• OSTI ID: 1760452
• Alternate ID(s): OSTI ID: 1369828
• Report Number(s): SAND--2020-14041J; 693006
• Journal Information: Zeitschrift fuer Physikalische Chemie, Journal Name: Zeitschrift fuer Physikalische Chemie Journal Issue: 4 Vol. 229; ISSN 0942-9352
• Publisher: de Gruyter
• Country of Publication: United States
• Language: English

Related Subjects

2-Methylfuran
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Biofuel
Combustion
Isomers
Mass Spectrometry
Photoionization
Pollutant