Dynamics of electron collision with potential biofuel: N-butanol

N Bhavsar, T Jani, PC Vinodkumar… - Radiation Physics and …, 2023 - Elsevier
A detailed theoretical investigation of electron impact collision on n-butanol, a potential
biofuel, is carried out over a wide energy impact range from 0.1 to 5000 eV. The low energy …

[HTML][HTML] Pyrolytic decomposition of methanol, ethanol, and butanol at various temperatures and residence times in a high-temperature flow reactor

ZA Khan, P Hellier, N Ladommatos… - Journal of Analytical and …, 2024 - Elsevier
The potential use of low-carbon renewable fuel molecules, such as short chain alcohols, as
a substitute or extender for fossil fuels, offers an opportunity to address pollutant emissions …

A Computational Study of the Reaction N(2D) + C6H6 Leading to Pyridine and Phenylnitrene

N Balucani, L Pacifici, D Skouteris, A Caracciolo… - … Science and Its …, 2019 - Springer
The reaction between nitrogen atoms in their first electronically excited state 2 D with
benzene has been characterized by electronic structure calculations of the stationary points …

A Computational Study on the Insertion of N(2D) into a C—H or C—C Bond: The Reactions of N(2D) with Benzene and Toluene and Their Implications on the …

M Rosi, L Pacifici, D Skouteris, A Caracciolo… - … Science and Its …, 2020 - Springer
The reactions between nitrogen atoms in their first electronically excited state 2 D with
benzene and toluene have been characterized by electronic structure calculations of the …

A computational study on the attack of nitrogen and oxygen atoms to toluene

M Rosi, S Falcinelli, P Casavecchia, N Balucani… - … Science and Its …, 2021 - Springer
The interaction between nitrogen atoms in their first electronically excited state 2 D and
oxygen atoms in their ground state 3 P or in the first electronically excited state 1 D with …

Electronic structure and kinetics calculations for the Si+ SH reaction, a possible route of SiS formation in star-forming regions

M Rosi, D Skouteris, N Balucani, L Mancini… - … Science and Its …, 2019 - Springer
The reaction between atomic silicon and the mercapto radical has been computationally
investigated by means of electronic structure and kinetics calculations to establish its …

Formation Routes of CO from O(1D)+Toluene: A Computational Study

M Rosi, P Casavecchia, N Balucani, P Recio… - … Science and Its …, 2022 - Springer
The interaction between oxygen atoms in their first electronically excited state 1D with
toluene has been characterized by electronic structure calculations. We focused our …

Kinetic studies of bio-butanol oxidation under low temperature combustion conditions

SL Sime - 2019 - etheses.whiterose.ac.uk
The work presented in this thesis utilises the laser flash photolysis-laser induced
fluorescence method to study the reaction kinetics of the four isomers of butanol, potential …

Theoretical study on the insertion reaction of CH (X2) into the oh bond in n-C4H9OH

NT Nghia, DT Nguyen, P Van Tien… - Vietnam Journal of Science …, 2023 - vjs.ac.vn
CH radicals play an important role in the combustion of hydrocarbon. The insertion
mechanism of a CH radical into the OH bond of nC 4 H 9 OH is investigated theoretically by …

The quest for a detailed comprehension of elementary reactions in combustion: A crossed molecular beam study of the O (3P) reactions with unsaturated C4 …

P Recio, A Caracciolo, G Vanuzzo… - AIP Conference …, 2020 - pubs.aip.org
In combustion, the overall chemical changeover is the result of an intricate network of
elementary reactions (unimolecular, bimolecular and termolecular) which are classified …