Study of combustion characteristics of linear carbonates (DMC/DEC/EMC) and cyclic carbonate (EC): Laminar burning velocity and chemical reaction kinetics …

G Feng, Q Yang, Z Liu, Z Jiang, C Zhao, K Wang… - Fuel, 2024 - Elsevier
Experimental and chemical kinetics studies on the combustion of linear and cyclic
carbonates are essential for gaining insight into the complex chemical reaction processes …

[HTML][HTML] Experimental and chemical kinetic modeling study of ethylene carbonate oxidation: A lithium-ion battery electrolyte surrogate model

K Kanayama, CM Grégoire, SP Cooper… - Combustion and …, 2024 - Elsevier
Fire-risk assessment of lithium-ion batteries (LIBs) is an urgent task as the number and size
of products using LIBs are both increasing. LIB electrolyte solvents consist of mixtures of …

Influence of oxygen atoms and ring strain on the low-temperature oxidation pathways of 1, 3-dioxolane

IS Roy, M Döntgen, C Huang, W Kopp… - The Journal of …, 2023 - ACS Publications
Biohybrid fuels are a promising solution for making the transportation sector more
environmentally friendly. One such interesting fuel candidate is 1, 3-dioxolane, which can be …

An Ab initio based OH initiated oxidation kinetics of glycerol carbonate: A promising biofuel component

BR Giri, MM Palacios, R Thangaraj, KP Shrestha… - Proceedings of the …, 2024 - Elsevier
The global energy demand is steadily increasing because of the population explosion and
economic growth. Fossil fuels supply around 85% of global primary energy demand. On one …

O2-Dependence of reactions of 1, 2-dimethoxyethanyl and 1, 2-dimethoxyethanylperoxy isomers

NS Dewey, K De Ras, R Van de Vijver… - Combustion and …, 2024 - Elsevier
Reaction mechanisms of R˙ and RO O˙ radicals derived from low-temperature oxidation of 1,
2-dimethoxyethane (CH 3 O (CH 2) 2 OCH 3) were investigated using speciation from …

Theoretical Investigation of Key Properties of the Pyrolysis of Methyl, Ethyl, and Dimethyl Dioxolane Isomers

M Döntgen, A Wildenberg… - The Journal of Physical …, 2022 - ACS Publications
Cyclic acetals are considered as carbon-neutral fuels that can be produced from biomass
and renewable electricity. Recent investigations on 1, 3-dioxolane, a five-membered cyclic …

Theory and simulation of shock waves freely propagating through monoatomic non-Boltzmann gas

M Döntgen - Theoretical and Computational Fluid Dynamics, 2024 - Springer
The effect of non-Boltzmann energy distributions on the free propagation of shock waves
through a monoatomic gas is investigated via theory and simulation. First, the non …

Reaction path identification and validation from molecular dynamics simulations of hydrocarbon pyrolysis

F Schmalz, WA Kopp, E Goudeli… - International Journal of …, 2024 - Wiley Online Library
Creation of complex chemical mechanisms for hydrocarbon pyrolysis and combustion is
challenging due to the large number of species and reactions involved. Reactive molecular …

A Comparative Study on the Combustion Chemistry of Two Bio-hybrid Fuels: 1, 3-Dioxane and 1, 3-Dioxolane

M Hellmuth, B Chen, C Bariki, L Cai… - The Journal of …, 2022 - ACS Publications
Bio-hybrid fuels are a promising solution to accomplish a carbon-neutral and low-emission
future for the transportation sector. Two potential candidates are the heterocyclic acetals 1, 3 …

Nicht-Boltzmann Reaktionskinetik

M Döntgen - work - hgd.rwth-aachen.de
Gasphasenchemie wird in der Regel durch komplexe Reaktionsmechanismen beschrieben,
in welchen Reaktionsabfolgen und-verzweigungen die globale Reaktivität in der Gasphase …