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 …

The influence of ethanol addition on a rich premixed benzene flame at low pressure

V Dias, HM Katshiatshia, H Jeanmart - Combustion and flame, 2014 - Elsevier
The aim of the study is to analyze the effect of ethanol in rich benzene flame, to observe the
influence of this oxygenated species and to understand the kinetics of ethanol in the …

Global uncertainty analysis for RRKM/master equation based kinetic predictions: A case study of ethanol decomposition

L Xing, S Li, Z Wang, B Yang, SJ Klippenstein… - Combustion and …, 2015 - Elsevier
A precise understanding of the accuracy of reaction rate constants, whether determined
experimentally or theoretically, is of considerable importance to kinetic modelers. While the …

Atmospheric pressure plasma functionalization of polystyrene

J Polito, M Denning, R Stewart, D Frost… - Journal of Vacuum …, 2022 - pubs.aip.org
Atmospheric pressure plasma jets (APPJs) are used to improve the adhesive and
hydrophilic properties of commodity hydrocarbon polymers such as polypropylene …

[HTML][HTML] The elimination of arsenic from natural gas condensate via pulse sieve-plate column: Experimental and application of DFT for chemical structure

T Pirom, B Rojanasiraprapa, W Punyain… - Arabian Journal of …, 2023 - Elsevier
This work focuses on the elimination of arsenic ions from natural gas condensate via pulse
sieve-plate column. The extraction of arsenic ions using the extractants: hydrochloric acid …

Investigation of the absorption cross section of phenyl radical and its kinetics with methanol in the gas phase using cavity ring-down spectroscopy and theoretical …

K Mondal, R Kaipara, B Rajakumar - The Journal of Physical …, 2019 - ACS Publications
Cavity ring-down spectroscopy (CRDS) was used to measure the absorption cross section of
phenyl radicals (C6H5•) at 504.8 nm (2B1← 2A1 transition) in the nitrogen atmosphere at 40 …

Nucleophilic addition to singlet diradicals: heterosymmetric diradicals

PG Wenthold, AH Winter - The Journal of Organic Chemistry, 2018 - ACS Publications
In the preceding paper, we examined the addition of nucleophiles to homosymmetric
diradicals and showed that the reaction occurs with no symmetry restrictions or other …

Ab initio and direct dynamics study on the C2H3 + CH3CH2OH reaction

C Chen, J Song, C Song, G Lv, Z Li - Molecular Physics, 2016 - Taylor & Francis
The mechanism for the C2H3+ CH3CH2OH reaction has been investigated by the CCSD
(T)/cc-pVTZ method based on the geometries of stationary points optimised at the B3LYP/6 …

A Computational Study of the Kinetics and Mechanism for the C2H3 + CH3OH Reaction

C Chen, J Song, C Song, G Lv - International Journal of …, 2015 - Wiley Online Library
The mechanism for the C2H3+ CH3OH reaction has been investigated by the Gaussian‐4
(G4) method based on the geometric parameters of the stationary points optimized at the …

Reaction of phenyl radicals towards propionaldehyde and butyraldehyde over the temperature range of 200–2000 K

P Gupta, B Rajakumar - Chemical Physics Letters, 2020 - Elsevier
The reactivity of phenyl radical towards propionaldehyde and butyraldehyde was
investigated by the CVT/SCT/ISPE method using the energetics computed at the CCSD …