Combustion chemistry of aromatic hydrocarbons

H Jin, W Yuan, W Li, J Yang, Z Zhou, L Zhao… - Progress in Energy and …, 2023 - Elsevier
Aromatic hydrocarbons are important components of petroleum-based transportation fuels,
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …

Flash vacuum pyrolysis: Techniques and reactions

C Wentrup - Angewandte Chemie International Edition, 2017 - Wiley Online Library
Flash vacuum pyrolysis (FVP) had its beginnings in the 1940s and 1950s, mainly through
mass spectrometric detection of pyrolytically formed free radicals. In the 1960s many organic …

Investigation on the pyrolysis and oxidation of toluene over a wide range conditions. I. Flow reactor pyrolysis and jet stirred reactor oxidation

W Yuan, Y Li, P Dagaut, J Yang, F Qi - Combustion and Flame, 2015 - Elsevier
The pyrolysis of toluene was studied in a flow reactor at pressures from 5 to 760 Torr and
temperatures from 1100 to 1730 K using synchrotron vacuum ultraviolet photoionization …

First aromatic ring formation by the radical-chain reaction of vinylacetylene and propargyl

H Jin, L Xing, D Liu, J Hao, J Yang, A Farooq - Combustion and Flame, 2021 - Elsevier
Recent investigations illustrated that clustering of hydrocarbons by radical-chain reaction
(CHRCR) mechanism provides key mechanistic steps for the rapid synthesis of polycyclic …

C7 reaction mechanism and its self-imitation in the kinetic modeling of PAH formation

H Jin, A Farooq - Combustion and Flame, 2023 - Elsevier
Polycyclic aromatic hydrocarbons (PAHs), serving as critical soot precursors, are formed via
complicated chemical processes, such as the first aromatic ring formation and the aromatic …

Isomer-specific product detection of gas-phase xylyl radical rearrangement and decomposition using VUV synchrotron photoionization

P Hemberger, AJ Trevitt, T Gerber, E Ross… - The Journal of …, 2014 - ACS Publications
Xylyl radicals are intermediates in combustion processes since their parent molecules,
xylenes, are present as fuel additives. In this study we report on the photoelectron spectra of …

[HTML][HTML] The thermal decomposition of the benzyl radical in a heated micro-reactor. I. Experimental findings

GT Buckingham, TK Ormond, JP Porterfield… - The Journal of …, 2015 - pubs.aip.org
The pyrolysis of the benzyl radical has been studied in a set of heated micro-reactors. A
combination of photoionization mass spectrometry (PIMS) and matrix isolation infrared (IR) …

Direct Observation of para-Xylylene as the Decomposition Product of the meta-Xylyl Radical Using VUV Synchrotron Radiation

P Hemberger, AJ Trevitt, E Ross… - The Journal of Physical …, 2013 - ACS Publications
Xylyl (methylbenzyl) radicals are important combustion intermediates, formed in the
pyrolysis and oxidation of xylenes and other substituted aromatic fuel additives. We have …

Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry: II. ATOMIC(hc) Enthalpies of Formation for a Large Set of Hydrocarbons

D Bakowies - Journal of Chemical Theory and Computation, 2019 - ACS Publications
ATOMIC is a thermochemistry protocol geared toward larger molecules with first-row atoms.
It implements Pople's concept of bond separation reactions in an ab initio fashion and so …

Phenylnitrene, phenylcarbene, and pyridylcarbenes. Rearrangements to cyanocyclopentadiene and fulvenallene

D Kvaskoff, H Lüerssen, P Bednarek… - Journal of the …, 2014 - ACS Publications
Flash vacuum thermolysis (FVT) of phenyl azide 29 as well as precursors of 2-
pyridylcarbene 34 and 4-pyridylcarbene 25 affords phenylnitrene 30 (labeled or unlabeled) …