微尺度效应对螺旋槽干气密封性能的影响

本文引用考虑微尺度效应的雷诺方程,推导出了考虑微尺度效应的螺旋槽干气密封内部流动的近似算法。应用本文提供的算法对文献中干气密封的不同实验工况进行了计算,与相应的实验数据对比,计算结果和实验结果基本符合;切向动量调节系数σv对计算结果在尺度越小时影响越大;考虑微尺度效应时开启力的计算结果更趋于实验数据。     

Designed Syntheses of Three {Ni6PW9}-Based Polyoxometalates,from Isolated Cluster to Cluster-Organic Helical Chain

Three new hexa-Ni-substituted Keggin-type polyoxometalates (POMs), [Ni₆(OH)₃- (DACH)₃(H₂O)₆(PW₉O₃₄)]·31H₂O (1), [Ni(DACH)₂][Ni₆(OH)₃(DACH)₃(HMIP)₂(H₂O)₂(PW₉O₃₄)]·56 H₂O (2), and [Ni(DACH)₂][Ni₆(OH)₃(DACH)₂(AP)(H₂O)₅(PW₉O₃₄)]·2H₂O (3) (DACH = 1,2-Diami- nocyclohexane, MIP = 5-Methylisophthalate, AP = Adipate) were successfully made in the presence of DACH under hydrothermal conditions. 1 is an isolated hexa-Ni-substituted Keggin unit decorated by DACH. In order to further construct POM cluster-organic frameworks (POMCOFs) on the basis of 1, by analyzing the steric hindrances and orientations of the POM units, the rigid HMIP and flexible AP ligands were successively incorporated, and another anionic monomeric POM 2 and the new 1D POM cluster organic chain (POMCOC) 3 were obtained. HMIP ligand still acts as a decorating group on the Ni₆ core of 2 but results in the different spatial arrangement of the {Ni₆PW₉} units. AP ligands in 3 successfully bridge adjacent isolated POM cluster units to 1D POMCOC with left-hand helices. The AP in 3 is the longest aliphatic carboxylic acid ligand in POMs, and the 1D POM cluster-AP helical chain represents the first 1D POMCOC with a helical feature.     

Drift of Spiral Waves in Complex Ginzburg-Landau Equation

The spontaneous drift of the spiral wave in a finite domain in the complex Ginzburg-Landau equation is investigated numerically. By using the interactions between the spiral wave and its images, we propose a phenomenological theory to explain the observations.     

Surface Modification Strategy for Enhanced NO2 Capture in Metal–Organic Frameworks

The interaction strength of nitrogen dioxide (NO₂) with a set of 43 functionalized benzene molecules was investigated by performing density functional theory (DFT) calculations. The functional groups under study were strategically selected as potential modifications of the organic linker of existing metal–organic frameworks (MOFs) in order to enhance their uptake of NO₂ molecules. Among the functional groups considered, the highest interaction energy with NO₂ (5.4 kcal/mol) was found for phenyl hydrogen sulfate (-OSO₃H) at the RI-DSD-BLYP/def2-TZVPP level of theory—an interaction almost three times larger than the corresponding binding energy for non-functionalized benzene (2.0 kcal/mol). The groups with the strongest NO₂ interactions (-OSO₃H, -PO₃H₂, -OPO₃H₂) were selected for functionalizing the linker of IRMOF-8 and investigating the trend in their NO₂ uptake capacities with grand canonical Monte Carlo (GCMC) simulations at ambient temperature for a wide pressure range. The predicted isotherms show a profound enhancement of the NO₂ uptake with the introduction of the strongly-binding functional groups in the framework, rendering them promising modification candidates for improving the NO₂ uptake performance not only in MOFs but also in various other porous materials.     

Stabilization of spiral wave and turbulence in the excitable media using parameter perturbation scheme

This paper proposes a scheme of parameter perturbation to suppress the stable rotating spiral wave, meandering spiral wave and turbulence in the excitable media, which is described by the modified Fitzhug-Nagumo （MFHN） model. The controllable parameter in the MFHN model is perturbed with a weak pulse and the pulse period is decided by the rotating period of the spiral wave approximatively. It is confirmed that the spiral wave and spiral turbulence can be suppressed greatly. Drift and instability of spiral wave can be observed in the numerical simulation tests before the whole media become homogeneous finally.     

A facile approach to prepare water-soluble magnetic metal (oxide) frameworks based on Na,Ca alginate and maghemite

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Lithium–Lanthanide Bimetallic Metal–Organic Frameworks towards Negative Electrode Materials for Lithium-Ion Batteries

Novel lithium–lanthanide (Ln: cerium and praseodymium) bimetallic coordination polymers with formulas C₁₀H₂LnLiO₈ (Ln: Ce (CeLipma) and Pr (PrLipma)) and C₁₀H₃CeO₈ (Cepma) were prepared through a simple hydrothermal method. The three compounds were characterized by means of FTIR spectroscopy, X-ray diffraction, single-crystal X-ray diffraction, SEM, TEM, and X-ray photoelectron spectroscopy. The results of structural refinement show that they belong to triclinic symmetry and P space group with cerium (or praseodymium) and lithium cations, forming coordination bonds to oxygen atoms from different pyromellitic acid molecules, and leading to the construction of 3D structures. It is interesting to note that the frameworks exclude any coordination water and lattice water. As an electrode material for lithium-ion batteries, CeLipma exhibits a maximum capacity of 800.5 mAh g⁻¹ and a retention of 91.4 % after 50 cycles at a current density of 100 mA g⁻¹. The favorable electrochemical properties of the lanthanide coordination polymers show potential application prospects in the field of electrode materials.