Influence of functional groups on low-temperature combustion chemistry of biofuels

B Rotavera, CA Taatjes - Progress in Energy and Combustion Science, 2021 - Elsevier
Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to
produce a diverse array of advanced biofuels with complex molecular structure and …

Chemical kinetics of cyclic ethers in combustion

LS Tran, O Herbinet, HH Carstensen… - Progress in Energy and …, 2022 - Elsevier
Abstract Cyclic Ethers (CEs) belong to a class of compounds of importance to understand
the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of …

A comprehensive experimental and modeling study of isobutene oxidation

CW Zhou, Y Li, E O'Connor, KP Somers, S Thion… - Combustion and …, 2016 - Elsevier
Isobutene is an important intermediate in the pyrolysis and oxidation of higher-order
branched alkanes, and it is also a component of commercial gasolines. To better understand …

MESMER: an open-source master equation solver for multi-energy well reactions

DR Glowacki, CH Liang, C Morley… - The Journal of …, 2012 - ACS Publications
The most commonly used theoretical models for describing chemical kinetics are accurate in
two limits. When relaxation is fast with respect to reaction time scales, thermal transition state …

An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors

SM Burke, W Metcalfe, O Herbinet, F Battin-Leclerc… - Combustion and …, 2014 - Elsevier
Propene is a significant component of Liquefied Petroleum Gas (LPG) and an intermediate
in the combustion of higher order hydrocarbons. To better understand the combustion …

Combustion chemistry of alkenes and alkadienes

CW Zhou, A Farooq, L Yang, AM Mebel - Progress in Energy and …, 2022 - Elsevier
Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present
in transportation fuels in significant amounts, up to as much as 15–20% in gasoline …

High-Pressure Rate Rules for Alkyl + O2 Reactions. 2. The Isomerization, Cyclic Ether Formation, and β-Scission Reactions of Hydroperoxy Alkyl Radicals

SM Villano, LK Huynh, HH Carstensen… - The Journal of Physical …, 2012 - ACS Publications
The unimolecular reactions of hydroperoxy alkyl radicals (QOOH) play a central role in the
low-temperature oxidation of hydrocarbons as they compete with the addition of a second …

H-Abstraction reactions by OH, HO 2, O, O 2 and benzyl radical addition to O 2 and their implications for kinetic modelling of toluene oxidation

M Pelucchi, C Cavallotti, T Faravelli… - Physical Chemistry …, 2018 - pubs.rsc.org
Alkylated aromatics constitute a significant fraction of the components commonly found in
commercial fuels. Toluene is typically considered as a reference fuel. Together with n …

A comprehensive experimental and kinetic modeling study of 1-and 2-pentene

S Dong, K Zhang, EM Ninnemann, A Najjar… - Combustion and …, 2021 - Elsevier
and 2-pentene are components in gasoline and are also used as representative alkene
components in gasoline surrogate fuels. Most of the available ignition delay time data in the …

Detailed mass spectrometric and modeling study of isomeric butene flames

M Schenk, L Leon, K Moshammer, P Oßwald… - Combustion and …, 2013 - Elsevier
Understanding the combustion chemistry of the butene isomers is a prerequisite for a
comprehensive description of the chemistry of C1 to C4 hydrocarbon and oxygenated fuels …