Gas-phase reactions of isoprene and its major oxidation products
Isoprene carries approximately half of the flux of non-methane volatile organic carbon
emitted to the atmosphere by the biosphere. Accurate representation of its oxidation rate and …
emitted to the atmosphere by the biosphere. Accurate representation of its oxidation rate and …
Alcohol combustion chemistry
SM Sarathy, P Oßwald, N Hansen… - Progress in energy and …, 2014 - Elsevier
Alternative transportation fuels, preferably from renewable sources, include alcohols with up
to five or even more carbon atoms. They are considered promising because they can be …
to five or even more carbon atoms. They are considered promising because they can be …
An experimental and chemical kinetic modeling study of 1, 3-butadiene combustion: Ignition delay time and laminar flame speed measurements
Abstract Ignition delay times for 1, 3-butadiene oxidation were measured in five different
shock tubes and in a rapid compression machine (RCM) at thermodynamic conditions …
shock tubes and in a rapid compression machine (RCM) at thermodynamic conditions …
The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene
Butenes are intermediates ubiquitously formed by decomposition and oxidation of larger
hydrocarbons (eg alkanes) or alcohols present in conventional or reformulated fuels. In this …
hydrocarbons (eg alkanes) or alcohols present in conventional or reformulated fuels. In this …
A comprehensive experimental and modeling study of isobutene oxidation
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 …
branched alkanes, and it is also a component of commercial gasolines. To better understand …
An experimental and modeling study of propene oxidation. Part 2: Ignition delay time and flame speed measurements
Experimental data obtained in this study (Part II) complement the speciation data presented
in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental …
in Part I, but also offer a basis for extensive facility cross-comparisons for both experimental …
Kinetics of elementary reactions in low-temperature autoignition chemistry
Advanced low-temperature combustion concepts that rely on compression ignition have
placed new technological demands on the modeling of low-temperature oxidation in general …
placed new technological demands on the modeling of low-temperature oxidation in general …
An experimental and modeling study of propene oxidation. Part 1: Speciation measurements in jet-stirred and flow reactors
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 …
in the combustion of higher order hydrocarbons. To better understand the combustion …
Theoretical studies of atmospheric reaction mechanisms in the troposphere
L Vereecken, JS Francisco - Chemical Society Reviews, 2012 - pubs.rsc.org
The chemistry of the atmosphere encompasses a vast number of reactions acting on a
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …
plethora of intermediates. These reactions, occurring sequentially and in parallel, give rise to …
KinBot: Automated stationary point search on potential energy surfaces
R Van de Vijver, J Zádor - Computer Physics Communications, 2020 - Elsevier
KinBot is a Python code that automatically characterizes kinetically important stationary
points on reactive potential energy surfaces and arranges the results into a form that lends …
points on reactive potential energy surfaces and arranges the results into a form that lends …