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Methyl is crucial in plasma-assisted hydrocarbon chemistry, making precise in situ imaging essential for understanding various plasma applications. Its importance in methane chemistry arises from its role as a primary byproduct during the initial phase of methane dehydrogenation. Detecting the CH radical is challenging due to its high reactivity and the prevalence of strongly pre-dissociative electronically excited states.
View Article and Find Full Text PDFKinetic Modeling Analysis of Ar Addition to Atmospheric Pressure N-H Plasma for Plasma-Assisted Catalytic Synthesis of NH.
J Phys Chem A
March 2024
Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, United States.
Zero-dimensional kinetic modeling of atmospheric pressure Ar-N-H nonthermal plasma was carried out to gain mechanistic insights into plasma-assisted catalytic synthesis of ammonia. Ar dilution is a common technique for tailoring plasma discharge properties and has been shown to enhance NH formation when added to N-H plasma. The kinetic model was developed for a coaxial dielectric barrier discharge quartz wool-packed bed reactor operating at near room temperature using a kHz-frequency plasma source.
View Article and Find Full Text PDFMicrowave Phosphine-Plasma-Assisted Ultrafast Synthesis of Halogen-Doped Ru/RuP with Surface Intermediate Adsorption Modulation for Efficient Alkaline Hydrogen Evolution Reaction.
Adv Mater
March 2024
Key Laboratory of Eco-chemical Engineering, Ministry of Education, International Science and Technology Cooperation Base of Eco-chemical Engineering and Green Manufacturing, College of Chemistry and Molecular Engineering, Qingdao University of Science & Technology, 53 Zhengzhou Road, Qingdao, 266042, P. R. China.
Anionic modification engineering is a crucial approach to develop highly efficient electrocatalysts for hydrogen evolution reaction. Herein, halogen elements (X = Cl, Br, and I)-modified Ru-based nanosheets (X-Ru/RuP) are designed by rapid and eco-friendly microwave-phosphide plasma approach within 60 s. Experimental and density functional theory calculations verify that the introduced halogen element, especially Br, can optimize the surface intermediates adsorption.
View Article and Find Full Text PDFKinetic Study for Plasma Assisted Cracking of NH: Approaches and Challenges.
J Phys Chem A
February 2023
CCRC, Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal23955, Saudi Arabia.
Ammonia is considered as one of the promising hydrogen carriers toward a sustainable world. Plasma assisted decomposition of NH could provide cost- and energy-effective, low-temperature, on-demand (partial) cracking of NH into H. Here, we presented a temperature-dependent plasma-chemical kinetic study to investigate the role of both electron-induced reactions and thermally induced reactions on the decomposition of NH.
View Article and Find Full Text PDFComparison of the hydrogen extraction reactions of isopentane molecules and ions.
Phys Chem Chem Phys
October 2022
Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore, 117543.
In plasma-assisted combustion, excited species, ions, radicals, and other active intermediates can be produced by the excitation, ionization, and dissociation processes, which are conducive to steady combustion under the conditions of low temperature and pressure. Positive ions are reported to play an important role in electron impact ionization of fuels, but the associated kinetic processes are rarely discussed owing to the lack of experimental data and uncertain reaction pathways in the model. As they are the smallest geometric structures with primary, secondary, and tertiary hydrogen atoms, a study is presented to discuss the hydrogen abstraction potential energy surfaces of isopentane molecules and positive ions by hydrogen radicals at the DLPNO-CCSD(T)/aug-cc-pVTZ//B3LYP-D3(BJ)/6-311G(2df,2p) and DLPNO-CCSD(T)/aug-cc-pVTZ//M06-2x-D3/ma-def2-TZVP levels.
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