Combustion chemistry in the twenty-first century: Developing theory-informed chemical kinetics models
Over the last 20 to 25 years theoretical chemistry (particularly theoretical chemical kinetics)
has played an increasingly important role in developing chemical kinetics models for …
has played an increasingly important role in developing chemical kinetics models for …
From theoretical reaction dynamics to chemical modeling of combustion
SJ Klippenstein - Proceedings of the Combustion Institute, 2017 - Elsevier
The chemical modeling of combustion treats the chemical conversion of hundreds of species
through thousands of reactions. Recent advances in theoretical methodologies and …
through thousands of reactions. Recent advances in theoretical methodologies and …
High-pressure oxidation of methane
H Hashemi, JM Christensen, S Gersen, H Levinsky… - Combustion and …, 2016 - Elsevier
Methane oxidation at high pressures and intermediate temperatures was investigated in a
laminar flow reactor and in a rapid compression machine (RCM). The flow-reactor …
laminar flow reactor and in a rapid compression machine (RCM). The flow-reactor …
[HTML][HTML] Comparison of methane combustion mechanisms using laminar burning velocity measurements
Large amount of experimental data for laminar burning velocity (LBV) measurements of
methane (+ H 2/CO)− oxygen− diluent mixtures (5500 data points in 646 datasets) covering …
methane (+ H 2/CO)− oxygen− diluent mixtures (5500 data points in 646 datasets) covering …
Uncertainty quantification of a newly optimized methanol and formaldehyde combustion mechanism
A detailed reaction mechanism for methanol combustion that is capable of describing
ignition, flame propagation and species concentration profiles with high accuracy has been …
ignition, flame propagation and species concentration profiles with high accuracy has been …
High-pressure oxidation of ethane
H Hashemi, JG Jacobsen, CT Rasmussen… - Combustion and …, 2017 - Elsevier
Ethane oxidation at intermediate temperatures and high pressures has been investigated in
both a laminar flow reactor and a rapid compression machine (RCM). The flow-reactor …
both a laminar flow reactor and a rapid compression machine (RCM). The flow-reactor …
[HTML][HTML] Experimental and kinetic modeling study of NO formation in premixed CH4+ O2+ N2 flames
The nitric oxide (NO) formation in methane (CH 4) flames has been widely investigated, with
quite a few kinetic mechanisms available in the literature. However, studies have shown that …
quite a few kinetic mechanisms available in the literature. However, studies have shown that …
Experimental and Kinetic Modeling Study of C2H2 Oxidation at High Pressure
J Gimenez‐Lopez, CT Rasmussen… - … Journal of Chemical …, 2016 - Wiley Online Library
ABSTRACT A detailed chemical kinetic model for oxidation of acetylene at intermediate
temperatures and high pressure has been developed and evaluated experimentally. The …
temperatures and high pressure has been developed and evaluated experimentally. The …
Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions
Despite the great interest in oxygenated methyl ethers as diesel fuel additives and as fuels
themselves, the influence of their methylenedioxy group (s)(O–CH 2–O) has never been …
themselves, the influence of their methylenedioxy group (s)(O–CH 2–O) has never been …
Non-Boltzmann effects in chain branching and pathway branching for diethyl ether oxidation
CR Mulvihill, AD Danilack, CF Goldsmith… - Energy & …, 2021 - ACS Publications
Low-temperature (LT) engine applications have several potential benefits, including
reduced emissions and increased efficiency. Attaining these benefits requires accurate …
reduced emissions and increased efficiency. Attaining these benefits requires accurate …