Developing detailed chemical kinetic mechanisms for fuel combustion
HJ Curran - Proceedings of the Combustion Institute, 2019 - Elsevier
This paper discusses a brief history of chemical kinetic modeling, with some emphasis on
the development of chemical kinetic mechanisms describing fuel oxidation. At high …
the development of chemical kinetic mechanisms describing fuel oxidation. At high …
A novel hybrid machine learning model for predicting rate constants of the reactions between alkane and CH3 radical
J Yu, D Shan, H Song, M Yang - Fuel, 2022 - Elsevier
The rate constants of H-abstraction reactions of alkanes by free radicals are crucial for
optimizing combustion reaction network, improving combustion efficiency and designing …
optimizing combustion reaction network, improving combustion efficiency and designing …
Ignition delay measurements of a low-octane gasoline blend, designed for gasoline compression ignition (GCI) engines
A blend of low-octane (light and heavy naphtha) and high-octane (reformate) distillate fuels
has been proposed for powering gasoline compression ignition (GCI) engines. The …
has been proposed for powering gasoline compression ignition (GCI) engines. The …
Gamma-valerolactone (GVL) as a biofuel: Investigation of GVL thermal decomposition and GVL+ OH reaction
Recent works have highlighted the potential of lignocellulosic-derived γ-valerolactone (GVL)
as a promising biofuel or a fuel additive. Its detailed chemistry is, however, not yet well …
as a promising biofuel or a fuel additive. Its detailed chemistry is, however, not yet well …
Reaction kinetics of OH radicals with 1, 3, 5-trimethyl benzene: An experimental and theoretical study
Alkylated aromatics are ubiquitous in transportation fuels. 1, 3, 5-Trimethyl benzene
(135TMB) is a popular surrogate for the aromatic content of distillate fuels due to its …
(135TMB) is a popular surrogate for the aromatic content of distillate fuels due to its …
Investigation of cyclopentene+ OH and cyclopentene thermal decomposition reactions
This study presents the first high-temperature measurements of cyclopentene+ OH→ k 1
Products reaction over 856–1258 K and 1.03–4.33 bar. The determined rate coefficients of k …
Products reaction over 856–1258 K and 1.03–4.33 bar. The determined rate coefficients of k …
Empirical rate rules for hydroxyl radical reactions with alkenes
Alkenes are not only constituents of practical fuels but are also key intermediates of the
oxidation and pyrolysis of larger hydrocarbons. The interactions between alkenes and …
oxidation and pyrolysis of larger hydrocarbons. The interactions between alkenes and …
Accounting for molecular flexibility in photoionization: case of tert-butyl hydroperoxide
J Bourgalais, Z Jiang, J Bloino, O Herbinet… - Physical Chemistry …, 2022 - pubs.rsc.org
tert-Butyl hydroperoxide (tBuOOH) is a common intermediate in the oxidation of organic
compounds that needs to be accurately quantified in complex gas mixtures for the …
compounds that needs to be accurately quantified in complex gas mixtures for the …
Reaction kinetics of 1, 4-cyclohexadienes with OH radicals: an experimental and theoretical study
This work presents the OH-initiated oxidation kinetics of 1, 4-cyclochexadiene (1, 4-CHD).
The temperature dependence of the reaction was investigated by utilizing a laser flash …
The temperature dependence of the reaction was investigated by utilizing a laser flash …
Heptanone isomers as biofuel: Reactivity with OH radicals
The reactions of heptanone isomers, namely diisopropyl ketone (DIPK, k 1), isopropyl propyl
ketone (IPPK, k 2), and dipropyl ketone (DPK, k 3), with OH radicals play a crucial role in …
ketone (IPPK, k 2), and dipropyl ketone (DPK, k 3), with OH radicals play a crucial role in …