A study on the reaction mechanism of non-oxidative methane coupling in a nanosecond pulsed discharge reactor using isotope analysis
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2018.11.161
Abstract: Abstract We present a study on the reaction pathways involved in non-oxidative methane coupling in a nanosecond pulsed discharge reactor using isotope analysis. Specifically, plasma-assisted reactions with isotopes, serving as tracers, are performed in two… read more here.
Keywords: methane coupling; non oxidative; study reaction; methane ... See more keywords
Mechanistic and kinetic study on the reaction of Pyrrole (C4H5N) with O(3P)
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2018.06.019
Abstract: Abstract The mechanism and kinetic for the reaction of Pyrrole + O(3P) has been investigated using CCSD(T)//M06-2X method with multichannel RRKM-TST calculation. On the triplet surface, four product channels corresponding to α-C-addition, β-C-addition, N-addition and direct H-abstraction… read more here.
Keywords: pyrrole; study reaction; reaction pyrrole; kinetic study ... See more keywords
A comparative study of reaction mechanism of MoS2 negative electrode materials for sodium-ion batteries
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2021.160182
Abstract: Abstract Sodium-ion batteries (SIBs) are becoming increasingly popular because of their low cost and the relative abundance of sodium compared to lithium. However, the energy density of SIBs is low and needs to be improved.… read more here.
Keywords: sodium ion; sodium; study reaction; reaction ... See more keywords
Study on Reaction Sites of Active Structures in Coal Based on the ReaxFF Reactive Force Field
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c05796
Abstract: To study the reaction paths and reaction mechanisms of the active structures in coal during the oxidation process, the oxygen-free pyrolysis and oxygen-containing combustion were simulated for nine active structures in coal based on the… read more here.
Keywords: structures coal; reaction; active structures; based reaxff ... See more keywords
Study of the Reaction Mechanism of Triazines and Associated Species for H2S Scavenging
Sign Up to like & getrecommendations! Published in 2023 at "ACS Omega"
DOI: 10.1021/acsomega.2c08103
Abstract: Natural gas produced worldwide contains, among other compounds, H2S and CO2. Both gases in the presence of free water can generate problems of corrosion in pipes and subtract calorific value to this gaseous hydrocarbon. Natural… read more here.
Keywords: reaction; h2s scavenging; study reaction; reaction mechanism ... See more keywords
Experimental and Theoretical Study of the Reaction Kinetics of 2,5-Dimethylterephthalonitrile Bromination Compared to 1,4-Dimethylbenzene Bromination
Sign Up to like & getrecommendations! Published in 2018 at "Synthesis"
DOI: 10.1055/s-0036-1591750
Abstract: Experimental and theoretical studies showed the differences observed in the benzylic tetrabromination reactions in 2,5-dimethylterephthalonitrile compared to 1,4-dimethylbenzene. It was observed that the compound containing the nitrile substituent underwent a slower bromination reaction, with the… read more here.
Keywords: study reaction; bromination; theoretical study; compared dimethylbenzene ... See more keywords
Acid-Switchable Synthesis of Trifluoromethylated Triazoles and Isoxazoles via Reaction of CF3-Ynones with NaN3: DFT Study of the Reaction Mechanism
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232314522
Abstract: A detailed study of the reaction of CF3-ynones with NaN3 was performed. It was found that the reaction permits the selective synthesis of either 4-trifluoroacetyltriazoles or 5-CF3-isoxazoles. The chemoselectivity of the reaction was switchable via… read more here.
Keywords: reaction; cf3 ynones; ynones nan3; reaction cf3 ... See more keywords
A DFT Study of the Reaction of Acrylamide with L-Cysteine and L-Glutathione
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27238220
Abstract: Thermal processing of certain foods implies the formation of acrylamide, which has been proven to provoke adverse effects on human health. Thus, several strategies to mitigate it have been developed. One of them could be… read more here.
Keywords: reaction; dft study; cysteine glutathione; study reaction ... See more keywords