The influence of i-butanol addition to the chemistry of premixed 1,3-butadiene flames
Chemical structures of three low-pressure premixed flames of 1,3-butadiene/i-butanol mixtures with different ratios of 1,3-butadiene and i-butanol were investigated experimentally with flame-sampling molecular-beam mass spectrometry and numerically by chemically detailed modeling. Partially isomer-r...
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Published in | Proceedings of the Combustion Institute Vol. 36; no. 1; pp. 1311 - 1319 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
United States
Elsevier Inc
2017
Elsevier |
Subjects | |
Online Access | Get full text |
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Summary: | Chemical structures of three low-pressure premixed flames of 1,3-butadiene/i-butanol mixtures with different ratios of 1,3-butadiene and i-butanol were investigated experimentally with flame-sampling molecular-beam mass spectrometry and numerically by chemically detailed modeling. Partially isomer-resolved mole fraction profiles of approximately 70 components per flame were determined using the well-established single-photon ionization technique via easily tunable synchrotron-generated vacuum-ultraviolet photons. The used chemical-kinetic reaction model is based on the work of Hansen et al. [Proc. Combust. Inst. 35 (2015) 771-778] of complementary 1,3-butadiene/n-butanol mixture flames. Within the present study, the reaction model has been significantly updated and simultaneously extended, to include the high-temperature oxidation chemistry of i-butanol. It is shown, by referring to both experimental and modeling results, that the concentration of benzene depends on the amount of 1,3-butadiene in the fuel mixture, indicating that i-butanol chemistry is not adding significantly towards aromatic ring formation. Trends in the concentration of other intermediates can also be largely predicted based on the established oxidation of 1,3-butadiene and i-butanol, thus revealing no detectible cross-linkages between the intermediate pools of the individual fuel components. |
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Bibliography: | USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22) AC04-94-AL85000; AC02-05CH11231 |
ISSN: | 1540-7489 1873-2704 |
DOI: | 10.1016/j.proci.2016.05.029 |