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 …

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 …

Ignition delay measurements of a low-octane gasoline blend, designed for gasoline compression ignition (GCI) engines

M AlAbbad, J Badra, K Djebbi, A Farooq - Proceedings of the Combustion …, 2019 - Elsevier
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 …

Gamma-valerolactone (GVL) as a biofuel: Investigation of GVL thermal decomposition and GVL+ OH reaction

D Liu, A Farooq - Combustion and Flame, 2023 - Elsevier
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 …

Reaction kinetics of OH radicals with 1, 3, 5-trimethyl benzene: An experimental and theoretical study

D Liu, BR Giri, TVT Mai, LK Huynh, A Farooq - Proceedings of the …, 2023 - Elsevier
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 …

Investigation of cyclopentene+ OH and cyclopentene thermal decomposition reactions

D Liu, F Khaled, W Ren, A Farooq - Combustion and Flame, 2024 - Elsevier
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 …

Empirical rate rules for hydroxyl radical reactions with alkenes

D Liu, A Farooq - Combustion and Flame, 2025 - Elsevier
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 …

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 …

Reaction kinetics of 1, 4-cyclohexadienes with OH radicals: an experimental and theoretical study

BR Giri, TVT Mai, M Assali, TTD Nguyen… - Physical Chemistry …, 2022 - pubs.rsc.org
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 …

Heptanone isomers as biofuel: Reactivity with OH radicals

D Liu, F Khaled, A Farooq - Proceedings of the Combustion Institute, 2024 - Elsevier
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 …