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Exploring Fuel Molecular Structure Effects on the Pyrolysis Chemistry of Branched Hexenes by Chuangchuang Cao; Matteo Pelucchi; Jianguo Zhang; Wang Li; Andrea Nobili; Jiuzhong Yang; Long Zhao; Yuyang Li; Tiziano Faravelli is a Engineering article available to read on EtoBox.

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3,3-Dimethyl-1-butene (NEC6D3) and 2,3-dimethyl-2-butene (XC6D2) are representative branched alkene components in gasoline. This work experimentally investigated the pyrolysis of NEC6D3 and XC6D2 in a flow reactor (T = 950–1350 K, P = 0.04 atm) and a jet-stirred reactor (T = 730–1000 K, P = 1 atm) using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) and gas chromatography (GC). A pyrolysis model of branched hexenes was proposed and validated against the new experimental data. The combined experimental observations and modeling analyses provide insights into the predominant fuel decomposition pathways and specific formation pathways of products under pyrolysis conditions. NEC6D3 exhibits a much higher reactivity than XC6D2 due to the existence of allylic CC bonds. Unimolecular decomposition reactions play the most crucial role in NEC6D3 decomposition, while in XC6D2 pyrolysis, fuel consumption is dominated by H-abstraction reactions and the H-assisted isomerization reaction. Fuel-specific pathways can remarkably influence the formation of pyrolysis products, especially the key C1 C2 products, isomer pairs and dialkenes. Furthermore, the reactions involv

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Author

Chuangchuang Cao; Matteo Pelucchi; Jianguo Zhang; Wang Li; Andrea Nobili; Jiuzhong Yang; Long Zhao; Yuyang Li; Tiziano Faravelli

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Engineering (Physical Sciences)