Effects of ammonia addition on soot formation in hydrocarbon fuels combustion: Challenges and prospects
Ammonia has received great attention of researchers as a hydrogen-rich carbon-free fuel
under the background of “carbon peak” and “carbon neutrality”. By discussing the surface …
under the background of “carbon peak” and “carbon neutrality”. By discussing the surface …
A chemical dynamics study of the reaction of the methylidyne radical (CH, X 2 Π) with dimethylacetylene (CH 3 CCCH 3, X 1 A 1g)
The gas-phase reaction of the methylidyne (CH; X2Π) radical with dimethylacetylene
(CH3CCCH3; X1A1g) was studied at a collision energy of 20.6 kJ mol− 1 under single …
(CH3CCCH3; X1A1g) was studied at a collision energy of 20.6 kJ mol− 1 under single …
Theoretical study of important phenylacetylene reactions in polycyclic aromatic hydrocarbon growth
Phenylacetylene is of significance in polycyclic aromatic hydrocarbon (PAH) growth in
combustion systems, especially as the key intermediate species in the hydrogen abstraction …
combustion systems, especially as the key intermediate species in the hydrogen abstraction …
A molecular beam and computational study on the barrierless gas phase formation of (iso) quinoline in low temperature extraterrestrial environments
Despite remarkable progress toward the understanding of the formation pathways leading to
polycyclic aromatic hydrocarbons (PAHs) in combustion systems and in deep space, the …
polycyclic aromatic hydrocarbons (PAHs) in combustion systems and in deep space, the …
Theoretical Study of the Reaction of the Methylidyne Radical (CH; X2Π) with 1-Butyne (CH3CH2CCH; X1A′)
AA Nikolayev, VN Azyazov, RI Kaiser… - The Journal of Physical …, 2021 - ACS Publications
Ab initio CCSD (T)-F12/cc-pVTZ-f12//ωB97X-D/6-311G (d, p)+ ZPE [ωB97X-D/6-311G (d, p)]
calculations were carried out to unravel the area of the C5H7 potential energy surface …
calculations were carried out to unravel the area of the C5H7 potential energy surface …
Reaction of propionitrile with methylidyne: A theoretical study
LI Krikunova, AA Nikolayev… - Journal of the …, 2023 - Wiley Online Library
The results of a CCSD (T)‐F12/cc‐pVTZ‐f12//ωB97XD/cc‐pVTZ quantum‐chemical study of
the potential energy surface (PES) for the reaction of propionitrile with methylidyne are …
the potential energy surface (PES) for the reaction of propionitrile with methylidyne are …
Исследование поверхности потенциальной энергии реакции 1-бутина и метилидинового радикала
А Николаев, ВН Азязов, АМ Мебель - Проблемы и перспективы …, 2021 - elibrary.ru
The 1-butyne+ methylidyne reaction is investigated. The reaction is of the importance in
combustion physics and chemistry at high temperatures and in astrochemistry at low …
combustion physics and chemistry at high temperatures and in astrochemistry at low …