Alcohol combustion chemistry

SM Sarathy, P Oßwald, N Hansen… - Progress in energy and …, 2014 - Elsevier
Alternative transportation fuels, preferably from renewable sources, include alcohols with up
to five or even more carbon atoms. They are considered promising because they can be …

Influence of functional groups on low-temperature combustion chemistry of biofuels

B Rotavera, CA Taatjes - Progress in Energy and Combustion Science, 2021 - Elsevier
Ongoing progress in synthetic biology, metabolic engineering, and catalysis continues to
produce a diverse array of advanced biofuels with complex molecular structure and …

One‐Step Reforming of CO2 and CH4 into High‐Value Liquid Chemicals and Fuels at Room Temperature by Plasma‐Driven Catalysis

L Wang, Y Yi, C Wu, H Guo, X Tu - Angewandte Chemie, 2017 - Wiley Online Library
The conversion of CO2 with CH4 into liquid fuels and chemicals in a single‐step catalytic
process that bypasses the production of syngas remains a challenge. In this study, liquid …

A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels

WK Metcalfe, SM Burke, SS Ahmed… - International Journal of …, 2013 - Wiley Online Library
ABSTRACT A detailed chemical kinetic mechanism has been developed to describe the
oxidation of small hydrocarbon and oxygenated hydrocarbon species. The reactivity of these …

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 …

On the chemical kinetics of ethanol oxidation: shock tube, rapid compression machine and detailed modeling study

C Lee, S Vranckx, KA Heufer, SV Khomik… - Zeitschrift für …, 2012 - degruyter.com
Auto-ignition characteristics of ethanol were experimentally investigated using two Shock
Tube (ST) facilities and a Rapid Compression Machine (RCM). Ignition delay times for …

Experimental and Kinetic Modeling Study of n-Butanol Pyrolysis and Combustion

J Cai, L Zhang, F Zhang, Z Wang, Z Cheng… - Energy & …, 2012 - ACS Publications
n-Butanol pyrolysis in a flow reactor was investigated at the pressures of 5, 30, 80, 200, and
760 Torr. Synchrotron vacuum ultraviolet photoionization mass spectrometry was used for …

Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol+ OH reactions

J Zheng, DG Truhlar - Faraday discussions, 2012 - pubs.rsc.org
Complex molecules often have many structures (conformations) of the reactants and the
transition states, and these structures may be connected by coupled-mode torsions and …

Development of an ethanol combustion mechanism based on a hierarchical optimization approach

C Olm, T Varga, É Valkó, S Hartl… - … Journal of Chemical …, 2016 - Wiley Online Library
ABSTRACT A detailed reaction mechanism for ethanol combustion was developed for
describing ignition, flame propagation, and species concentration profiles with high …

Probing the low-temperature chemistry of ethanol via the addition of dimethyl ether

Y Zhang, H El-Merhubi, B Lefort, L Le Moyne… - Combustion and …, 2018 - Elsevier
Considering the importance of ethanol (EtOH) as an engine fuel and a key component of
surrogate fuels, the further understanding of its auto-ignition and oxidation characteristics at …