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 …

The influence of iso-butene kinetics on the reactivity of di-isobutylene and iso-octane

N Lokachari, S Panigrahy, G Kukkadapu, G Kim… - Combustion and …, 2020 - Elsevier
The continuous development of a core C 0–C 4 kinetic mechanism generally involves
updating it using reliable kinetics and thermodynamics and may also involve the inclusion of …

Exploring the kinetics and thermochemistry effects on C2-C6 alkene combustion chemistry by ȮH radical; Implications for Combustion Modeling and Simulation

X Zhu, JT Chen, CW Zhou - Combustion and Flame, 2022 - Elsevier
A systematic theoretical study of C2 to C6 alkenes reacting with ȮH radical to explore the
kinetics and thermochemistry effects are carried out in this work. The geometries and …

Prediction of Hydrogen Abstraction Rate Constants at the Allylic Site between Alkenes and OH with Multiple Machine Learning Models

L Zhang, L Ye, F Wang, W Gao, J Yu… - The Journal of Physical …, 2024 - ACS Publications
Hydrogen abstraction reactions between hydrocarbons and hydroxyl radicals are important
propagation steps in radical chain reactions, playing a crucial role in atmospheric and …

The effect of hydrogen bonding on the reactivity of OH radicals with prenol and isoprenol: a shock tube and multi-structural torsional variational transition state theory …

SY Mohamed, M Monge-Palacios, BR Giri… - Physical Chemistry …, 2022 - pubs.rsc.org
The presence of two functional groups (OH and double bond) in C5 methyl-substituted enols
(ie, isopentenols), such as 3-methyl-2-buten-1-ol (prenol) and 3-methyl-3-buten-1-ol …

Experimental study and a short kinetic model for high-temperature oxidation of methyl methacrylate

S Dakshnamurthy, DA Knyazkov… - Combustion Science …, 2019 - Taylor & Francis
Synthetic and natural polymeric esters find applications in transport and construction
sectors, where fire safety is an important concern. One polymer that is widely used is poly …

Hydrogen abstraction ratios: A systematic iPEPICO spectroscopic investigation in laminar flames

D Krüger, P Oßwald, M Köhler, P Hemberger… - Combustion and …, 2018 - Elsevier
The radicals produced by hydrogen abstraction in the initial fuel decomposition step are
essential in combustion kinetics, but their experimental detection is very challenging …

Effect of oxygen enrichment on methane ignition

TA Kashif, M AlAbbad, M Figueroa-Labastida… - Combustion and …, 2023 - Elsevier
Oxygen-enriched combustion has attracted interest in the energy sector due to its increased
thermal efficiency and low carbon capture cost compared to 'air'combustion. Experimental …

Reaction Mechanisms and Kinetics of the Hydrogen Abstraction Reactions of C4–C6 Alkenes with Hydroxyl Radical: A Theoretical Exploration

QD Wang, MM Sun, JH Liang - International journal of molecular sciences, 2019 - mdpi.com
The reaction of alkenes with hydroxyl (OH) radical is of great importance to atmospheric and
combustion chemistry. This work used a combined ab initio/transition state theory (TST) …

[HTML][HTML] Exploring the interaction kinetics of butene isomers and NOx at low temperatures and diluted conditions

S Gossler, L Ruwe, W Yuan, J Yang, X Chen… - Combustion and …, 2021 - Elsevier
The oxidation of 1-butene and i-butene with and without addition of 1000 ppm NO was
experimentally and numerically studied primarily at fuel-rich (ϕ= 2.0) conditions under high …