Exploring hydroperoxides in combustion: History, recent advances and perspectives

Z Wang, O Herbinet, N Hansen… - Progress in Energy and …, 2019 - Elsevier
The aim of this paper is to review recent progress in detection and quantification of
hydroperoxides, and to understand their reaction kinetics in combustion environments …

The Sono-Hydro-Gen process (Ultrasound induced hydrogen production): Challenges and opportunities

SS Rashwan, I Dincer, A Mohany, BG Pollet - International Journal of …, 2019 - Elsevier
Producing hydrogen using ultrasonic waves offers tremendous opportunities, which could
lead to a clean, affordable and reliable energy source. Introducing high-frequency ultrasonic …

An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures

A Kéromnès, WK Metcalfe, KA Heufer, N Donohoe… - Combustion and …, 2013 - Elsevier
The oxidation of syngas mixtures was investigated experimentally and simulated with an
updated chemical kinetic model. Ignition delay times for H2/CO/O2/N2/Ar mixtures have …

Highly accurate first-principles benchmark data sets for the parametrization and validation of density functional and other approximate methods. Derivation of a robust …

A Karton, A Tarnopolsky, JF Lamére… - The Journal of …, 2008 - ACS Publications
We present a number of near-exact, nonrelativistic, Born− Oppenheimer reference data sets
for the parametrization of more approximate methods (such as DFT functionals). The data …

Laminar flame speed and ignition delay time data for the kinetic modeling of hydrogen and syngas fuel blends

MC Krejci, O Mathieu… - … for Gas Turbines …, 2013 - asmedigitalcollection.asme.org
Laminar flame speeds and ignition delay times have been measured for hydrogen and
various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures …

The effect of temperature on the adiabatic burning velocities of diluted hydrogen flames: A kinetic study using an updated mechanism

VA Alekseev, M Christensen, AA Konnov - Combustion and flame, 2015 - Elsevier
The effect of temperature on the adiabatic burning velocities of diluted hydrogen flames has
been analyzed using an updated version of the Konnov detailed reaction mechanism for …

On the role of excited species in hydrogen combustion

AA Konnov - Combustion and flame, 2015 - Elsevier
Recently updated hydrogen combustion mechanism was combined with ozone
decomposition reactions and extended by reactions of excited species: O (1 D), OH (2 Σ+) …

Multireference model chemistries for thermochemical kinetics

O Tishchenko, J Zheng, DG Truhlar - Journal of Chemical Theory …, 2008 - ACS Publications
By combining the generalized valence bond ansatz of correlated participating orbitals (CPO)
with the complete-active-space prescription for selecting configurations and with the use of …

[HTML][HTML] An experimental and modeling study on the reactivity of extremely fuel-rich methane/dimethyl ether mixtures

S Porras, D Kaczmarek, J Herzler, S Drost… - Combustion and …, 2020 - Elsevier
Chemical reactions in stoichiometric to fuel-rich methane/dimethyl ether/air mixtures (fuel air
equivalence ratio ϕ= 1–20) were investigated by experiment and simulation with the focus …

Thermochemical kinetics for multireference systems: Addition reactions of ozone

Y Zhao, O Tishchenko, JR Gour, W Li… - The Journal of …, 2009 - ACS Publications
The 1, 3-dipolar cycloadditions of ozone to ethyne and ethene provide extreme examples of
multireference singlet-state chemistry, and they are examined here to test the applicability of …