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91.
92.
In this paper,we point out that several assertions(Propositions 3.15 and 5.2(v)) in a previous paper by Majumdar and Samanta are not true in general,by counterexamples. 相似文献
93.
94.
Tomographic analysis of the central magnetohydrodynamic oscillations on the HT-7 tokamak 总被引:1,自引:0,他引:1 下载免费PDF全文
Multi-channel soft x-ray (SX) detectors are applied to generate images of
magnetohydrodynamic (MHD) oscillation on the HT-7 tokamak, and the data
from SX cameras are analysed by using the
Fourier--Bessel harmonic reconstruction method and the singular value
decomposition. The image
reconstruction of SX emissivity is obtained on the assumption of plasma
rigid rotation. One of the important phenomena in the HT-7 discharge is the
transition from the sawtooth oscillations to the MHD oscillations when the
plasma density grows higher. The MHD structure
observed in the SX tomography is featured as follows: the magnetic surface of MHD
structure is made up of the crescent-shaped ``hot core' and the circular
``cold bubble'. The structure of the magnetic surface is relatively stable.
It rotates in the direction of the electron diamagnetic drift at a
frequency being the oscillation frequency of the MHD oscillations. 相似文献
95.
《Journal of computational chemistry》2018,39(17):1038-1043
The Kernel energy method (KEM) is a quantum chemical calculation method that has been shown to provide accurate energies for large molecules. KEM performs calculations on subsets of a molecule (called kernels) and so the computational difficulty of KEM calculations scales more softly than full molecule methods. Although KEM provides accurate energies those energies are not required to satisfy the variational theorem. In this article, KEM is extended to provide a full molecule single‐determinant N‐representable one‐body density matrix. A kernel expansion for the one‐body density matrix analogous to the kernel expansion for energy is defined. This matrix is converted to a normalized projector by an algorithm due to Clinton. The resulting single‐determinant N‐representable density matrix maps to a quantum mechanically valid wavefunction which satisfies the variational theorem. The process is demonstrated on clusters of three to twenty water molecules. The resulting energies are more accurate than the straightforward KEM energy results and all violations of the variational theorem are resolved. The N‐representability studied in this article is applicable to the study of quantum crystallography. © 2017 Wiley Periodicals, Inc. 相似文献
96.
《Journal of separation science》2018,41(3):723-731
A highly selective molecularly imprinted polymer sorbent was synthesized and employed for the simultaneous determination of six sulfonamide antibiotic residues (sulfanilamide, sulfacetamide, sulfadiazine, sulfathiazole, sulfamerazine, and sulfamethizole) in milk samples. Multi‐analyte imprinted particles were used as a sorbent in solid‐phase extraction. Sulfonamides were separated on a high‐performance liquid chromatography column (Merck–Lichrospher RP18e, 5 μm 250 × 4 mm) and further identified and quantified by diode array detection. Several parameters including required loading of the molecularly imprinted polymer sorbent, mass of milk, volume, and type of elution solvent, as well as time for absorption and elution were investigated to obtain optimal experimental conditions. For comparison purpose, a non‐imprinted polymer was applied under the optimum conditions. The validation study according to the European Union Decision 2002/657/EC was based on the investigation of linearity, selectivity, stability, limits of detection and quantitation, decision limit, detection capability, trueness, precision, and ruggedness according to Youden's approach. The decision limit and detection capability values in the milk were achieved from 101.9 to 113.5 μg/kg and from 114.4 to 135.4 μg/kg, respectively, depending on the target sulfonamide drug. Finally, the optimized protocol was successfully applied to commercial milk samples and human breast milk. 相似文献
97.
Dr. Lei He Prof. Wen-Cui Li Shuang Xu Prof. An-Hui Lu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(13):3209-3218
Microporous carbons afford high surface areas, large pore volumes, and good conductivity, and are fascinating over a wide range of applications. Traditionally synthesized microporous carbon materials usually suffer from some limitations, such as poor accessibility and slow mass transport of molecules due to the micrometer-scale diffusion pathways and space confinement imposed by small pore sizes. Two-dimensional microporous carbon materials, denoted as microporous carbon nanosheets (MCNs), possess nanoscale thickness, which allows fast mass and heat transport along the z axis; thus overcoming the drawbacks of their bulk counterparts. Herein, recent breakthroughs in the synthetic strategies for MCNs are summarized. Three typical methods are discussed in detail with several examples: pyrolysis of organic precursors with 2D units, a templating method that uses wet chemistry, and the molten salt method. Among them, molecular-based assembly of MCNs in the liquid phase shows more controllable morphology, thickness, and pore size distribution. Finally, challenges in this research area are discussed to inspire future explorations. 相似文献
98.
Selective catalytic reduction (SCR) of NOx with H2 as a reductant is the most promising denitration technology at low temperature. Achieving the conversion of NOx into N2 at ambient temperature not only prolongs the service life of the catalyst, but also provides more freedom for the arrangement of denitration units throughout the flue gas treatment equipment. However, the development of highly efficient, stable, and environmentally benign supported platinum‐based catalysts for H2‐SCR at ambient temperature is still a major challenge. Herein, a 0.5 wt % Pt/ZrO2@C catalyst, which was composed of carbon‐coated octahedral ZrO2 with highly dispersed Pt particles, was prepared by using a new stabilization strategy based on UiO‐66‐NH2 (a zirconium metal–organic framework) as a template. The catalytic performance of this Pt/ZrO2@C in H2‐SCR was tested and confirmed to achieve near 100 % NOx conversion at 90 °C. Also, 70 % N2 selectivity of the catalyst was achieved. The morphology, structure, and porous properties of the as‐synthesized nanocomposites were characterized by using data obtained from field‐emission SEM, TEM, XRD, Raman spectroscopy, thermogravimetric analysis, X‐ray photoelectron spectroscopy, and N2 adsorption–desorption isotherms. The results show that residual carbon formed by pyrolysis treatment is coated on octahedral ZrO2, and effectively prevents the agglomeration of platinum particles on the surface. 相似文献
99.
Biplab Kumar Mandal 《Molecular physics》2020,118(14)
Density functional theory (DFT) of freezing has been used to investigate the freezing transitions in a system of colloidal particles confined to a two-dimensional plane. The particles interact via a model Hertzian type potential of varying softness. The pair-correlation functions (PCFs) needed as input structural information in DFT are calculated by solving hypernetted chain (HNC) integral equation theory. The PCFs thus obtained have been compared with those obtained through experiment and simulations and are found to be in good qualitative agreement. We found that the PCFs are sensitive to the softness of the potential: showing splitting of pair-correlation peak in the harder case and anomalous non-monotonic density dependence in the softer case. Using the common tangent construction method, we have also proposed the fluid-triangular solid phase diagrams in the temperature-density plane. We found that the phase diagram exhibit solid-fluid coexistence region whose thickness decreases with the increasing temperature as well as with increasing softness of the potential. In the temperature and density range of our calculation, DFT fails to produce any reentrance in the phase diagram. 相似文献
100.
Juan Li Shuang Hou Tiezhong Liu Liangke Wang Chen Mei Yayun Guo Prof. Lingzhi Zhao 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(9):2013-2024
Improving the performance of anode materials for lithium-ion batteries (LIBs) is a hotly debated topic. Herein, hollow Ni−Co skeleton@MoS2/MoO3 nanocubes (NCM-NCs), with an average size of about 193 nm, have been synthesized through a facile hydrothermal reaction. Specifically, MoO3/MoS2 composites are grown on Ni−Co skeletons derived from nickel–cobalt Prussian blue analogue nanocubes (Ni−Co PBAs). The Ni−Co PBAs were synthesized through a precipitation method and utilized as self-templates that provided a larger specific surface area for the adhesion of MoO3/MoS2 composites. According to Raman spectroscopy results, as-obtained defect-rich MoS2 is confirmed to be a metallic 1T-phase MoS2. Furthermore, the average particle size of Ni−Co PBAs (≈43 nm) is only about one-tenth of the previously reported particle size (≈400 nm). If assessed as anodes of LIBs, the hollow NCM-NC hybrids deliver an excellent rate performance and superior cycling performance (with an initial discharge capacity of 1526.3 mAh g−1 and up to 1720.6 mAh g−1 after 317 cycles under a current density of 0.2 A g−1). Meanwhile, ultralong cycling life is retained, even at high current densities (776.6 mAh g−1 at 2 A g−1 after 700 cycles and 584.8 mAh g−1 at 5 A g−1 after 800 cycles). Moreover, at a rate of 1 A g−1, the average specific capacity is maintained at 661 mAh g−1. Thus, the hierarchical hollow NCM-NC hybrids with excellent electrochemical performance are a promising anode material for LIBs. 相似文献