Combining synchrotron vacuum-ultraviolet photoionization mass spectrometry and gas chromatography–mass spectrometry for isomer-specific mechanistic analysis …

G Xu, H Wang, J Zhang, J Gao, J Guan, Q Xu… - Nature …, 2024 - nature.com
Elucidating the formation mechanism of polycyclic aromatic hydrocarbons (PAHs) is crucial
to understand processes in the contexts of combustion, environmental science …

Probing the Reaction of Propargyl Radical with Molecular Oxygen by Synchrotron VUV Photoionization Mass Spectrometry

Q Xu, J Zhang, B Liu, H Wang, G Xu… - The Journal of …, 2024 - ACS Publications
Self-reaction of propargyl (C3H3) radical is the main pathway to benzene, the formation of
which is the rate-controlling step toward the formation of polycyclic aromatic hydrocarbons …

Theoretical Prediction of the Reaction Probabilities of H, O, and OH Radicals on the Polypropylene Surface

H Du, M Sato, A Komuro, R Ono - The Journal of Physical …, 2024 - ACS Publications
To determine the H-abstraction reaction probabilities of H/O/OH radicals with a
polypropylene (PP) surface, a first-principles calculation was performed based on the …

Multi-structural variational kinetics study on hydrogen abstraction reactions of cyclopentanol and cyclopentane by hydroperoxyl radical with anharmonicity, recrossing …

M Yang, J Wang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
To date, it is still a challenge to accurately predict the reaction kinetics of H-atom
abstractions by the HO2 radical in cycloalkanes and cyclic alcohols, which plays a …

Pyrolysis Kinetics of Polyvinylidene Fluoride (Pvdf)

Y Wang, J Han, M Wen, Q Chu, D Chen - Available at SSRN 5035010 - papers.ssrn.com
Polyvinylidene fluoride (PVDF) is widely used in energetic materials and other fields.
However, no detailed kinetic mechanism is available to describe the complete …