Atom tunneling in chemistry

J Meisner, J Kästner - Angewandte Chemie International …, 2016 - Wiley Online Library
Quantum mechanical tunneling of atoms is increasingly found to play an important role in
many chemical transformations. Experimentally, atom tunneling can be indirectly detected …

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 …

Uncertainty quantification of a newly optimized methanol and formaldehyde combustion mechanism

C Olm, T Varga, É Valkó, HJ Curran, T Turányi - Combustion and Flame, 2017 - Elsevier
A detailed reaction mechanism for methanol combustion that is capable of describing
ignition, flame propagation and species concentration profiles with high accuracy has been …

A detailed combined experimental and theoretical study on dimethyl ether/propane blended oxidation

EE Dames, AS Rosen, BW Weber, CW Gao… - Combustion and …, 2016 - Elsevier
In this paper, a binary fuel model for dimethyl ether (DME) and propane is developed, with a
focus on engine-relevant conditions (10–50 atm and 550–2000 K). New rapid compression …

Plug-flow reactor and shock-tube study of the oxidation of very fuel-rich natural gas/DME/O2 mixtures

D Kaczmarek, J Herzler, S Porras, S Shaqiri… - Combustion and …, 2021 - Elsevier
A polygeneration process with the ability to provide work, heat, and useful chemicals
according to the specific demand is a promising alternative to traditional energy conversion …

Numerical and experimental investigations on the particle formation in oxymethylene ethers (OMEn, n= 2− 4)/ethylene premixed flames

R Schmitz, F Ferraro, M Sirignano, C Hasse - Fuel, 2024 - Elsevier
Alternative synthetic fuels can be produced by renewable energy sources and represent a
potential route for solving long-term energy storage. Among them, oxygenated fuels have …

Microorganisms as New Sources of Energy

J Talapko, D Talapko, A Matić, I Škrlec - Energies, 2022 - mdpi.com
The use of fossil energy sources has a negative impact on the economic and socio-political
stability of specific regions and countries, causing environmental changes due to the …

Shock tube study of ethanol pyrolysis II: Rate constant measurements and modeling

R Choudhary, V Boddapati, S Clees, JJ Girard… - Combustion and …, 2021 - Elsevier
The rate constants of two unimolecular decomposition channels of ethanol, C 2 H 5 OH (+
Ar)= CH 3+ CH 2 OH (+ Ar), and C 2 H 5 OH (+ Ar)= C 2 H 4+ H 2 O (+ Ar) were measured …

Complete reactants-to-products observation of a gas-phase chemical reaction with broad, fast mid-infrared frequency combs

N Hoghooghi, P Chang, SEM Burch, R Shaik… - arXiv preprint arXiv …, 2023 - arxiv.org
Molecular diagnostics are a primary tool of modern chemistry, enabling researchers to map
chemical reaction pathways and rates to better design and control chemical systems. Many …

Quantitative measurements of broad-band mid-infrared absorption spectra of formaldehyde, acetaldehyde, and acetone at combustion-relevant temperatures near 5.7 …

Y Ding, WY Peng, CL Strand, RK Hanson - Journal of Quantitative …, 2020 - Elsevier
Temperature-dependent absorption cross sections of formaldehyde, acetaldehyde, and
acetone are presented for their C double bond O stretching bands near 5.7 µm. The …