The intermediate decomposition products of methanol (CH3OH) in an AC discharge were diagnosticated via concentration modulation spectroscopy. Several main vibrational bands of CO Angström beta 1 sigma+ -alpha 1pi system, CH alpha 2 delta-X2pi system at 430 nm and beta 2 sigma- -X2pi at 390 nm, as well as CHO (329.82 nm), CH2O (369.8 nm), CH3O (347.8 nm) and Balmer series spectra of H atom were identified in the region between 300 and 670 nm. Furthermore, the dependences of the emission spectral intensities of the intermediate decomposition products on the discharge voltage and parent gas pressure were investigated in detail. The experiments indicated that the relative population ratio of CO (beta 1 sigma+) and H increases with increasing discharge voltage more quickly than that of CH (alpha 2 delta). Several possible reaction passages were given and discussed. Additionally, the vibrational and rotational temperatures of CH (alpha 2 delta) were determined to be about 4200 and 1100 K respectively, and the vibrational temperatures of CO (beta 1 sigma+) were determined to be about 2500 K by analyzing the intensity distribution using LIFEBASE computer program. The decomposition mechanism of methanol in the discharge plasma was discussed as well.
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J Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFACS Nano
January 2025
Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, Jinan 250061, P. R. China.
To achieve a long cycle life and high-capacity performance for Li-O batteries, it is critical to rationally modulate the formation and decomposition pathway of the discharge product LiO. Herein, we designed a highly efficient catalyst containing dual catalytic active sites of Pt single atoms (Pt) paired with high-entropy alloy (HEA) nanoparticles for oxygen reduction reaction (ORR) in Li-O batteries. HEA is designed with a moderate d-band center to enhance the surface adsorbed LiO intermediate (LiO(ads)), while Pt active sites exhibit weak adsorption energy and promote the soluble LiO pathway (LiO(sol)).
View Article and Find Full Text PDFUltrasound Med Biol
January 2025
Department of Electrical and Electronic Engineering, The University of Hong Kong, Hong Kong; Biomedical Engineering Programme, The University of Hong Kong, Hong Kong. Electronic address:
Objective: Near-field (NF) clutter filters are critical for unveiling true myocardial structure and dynamics. Randomized singular value decomposition (rSVD) stands out for its proven computational efficiency and robustness. This study investigates the effect of rSVD-based NF clutter filtering on myocardial motion estimation.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
School of Food & Biological Engineering, Jiangsu University, Zhenjiang 212013, China. Electronic address:
Pomegranate peel polyphenols (PPP) are natural compounds known for their various biological activities; however, they are easily degraded by environmental conditions, leading to a reduction in their biological activity and health benefits. Therefore, improving the stability of PPP is a critical question that needs to be addressed. This study aimed to evaluate the efficacy of five common microcapsule wall materials-carboxymethyl cellulose sodium (CMCNa), sodium alginate (SA), gum Arabic (GA), beta-cyclodextrin (β-CD), and hydroxypropyl starch (HPS)-in encapsulating PPP to enhance its stability and antioxidant activity.
View Article and Find Full Text PDFSci Total Environ
January 2025
Institute of Ecology and Earth Sciences, University of Tartu, Vanemuise Street. 46, 51003 Tartu, Estonia. Electronic address:
Despite only covering ~3 % of the land mass, peatlands store more carbon (C) per unit area than any other ecosystem. This is due to the discrepancy between C fixed by the plants (Gross primary productivity (GPP)) and decomposition. However, this C is vulnerable to frequent, severe droughts and changes in the peatland microclimate.
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