FAAS测定环境标准样品中的钠、钾、钙和镁

对火焰原子吸收光谱法测定环境标准样品中的钠、钾、钙、镁的方法进行研究.在选定的最佳仪器条件下,测定钠、钾、钙、镁的RSD分别为0.88％、0.93％、1.84％、5.13％.标准样品中钠、钾、钙、镁的回收率分别为93.0％、94.0％、109.0％、110.0％.方法操作简单,测试快速,结果准确稳定.     

The static polarizability and first hyperpolarizability of the water trimer anion: ab initio study

This work predicts the extraordinary hyperpolarizability of inorganic clusters: two water trimer anions. The first hyperpolarizabilities of (H2O-)(3) are considerable, beta(0)=1.715 x 10(7) a.u. for configuration A and beta(0)=1.129 x 10(7) a.u. for configuration B at MP2/d-aug-cc-pVDZ+x level. The first hyperpolarizabilities of (H2O-)(3) (configuration A) and related systems [(H2O)(3) and (H2O)(3)F-] are compared at the MP2/d-aug-cc-pVDZ+x level. These results are beta(0)=1.715 x 10(7) a.u. for (H2O-)(3), beta(0)=35 a.u. for (H2O)(3) [the neutral core of (H2O-)(3)], and beta(0)=46 a.u. for (H2O)(3)F-). Comparing the beta(0) values of related systems, we find that the dipole-bound excess electron is the key factor in the extraordinary first hyperpolarizability of (H2O-)(3) species. It will provide a future in the development of some materials with the excess electron (e.g., electrides) that exhibit large nonlinear optical response.     

Linear dependence of the intensity of the [M + H]+ ion peak in fast atom bombardment mass spectrometry on the basicity of meso-substituted octaethylporphyrins

A fast atom bombardment mass spectrometric study of the meso-substituent effect of Octaethylporphyrins (OEPX, X = NH₂, CH₃, H, CHO, Cl, CN, NO₂) is reported. The intensity of the [M + H]⁺ ion peaks was estimated quantitatively using an external standard, which was observed to be correlated linearly with the basicity (pK₃) of the OEPX. The pK₃ value of the OEPXs was obtained by titration with perchloric acid and it was observed to be correlated linearly with Hammett's σ_p value, with a ρ value of 1.38.     

Curvature Effect on Compressible Turbulent Flow over a Wavy Wall

A fully developed compressible turbulent flow in a channel with a lower wavy wall and a upper plane wall is studied using large eddy simulation. We mainly attempt to deal with the curvature effect on compressible turbulent flow over the wavy wall. Some typical quantities including the mean turbulence statistics, dilatation and baroclinic terms in the enstrophy equation, turbulent kinetic energy budgets and the near-wall turbulent structures are analysed. The results obtained in this study provide physical insight into the understanding of the effects of curvature and compressibility on wall-bounded compressible turbulent flow.     

An investigation of thermally stratified turbulent channel flow with temperature oscillation on the bottom wall by large eddy simulation

Thermally stratified shear turbulent channel flow with temperature oscillation on the bottom wall of the channel is calculated to investigate the behavior of turbulent flow and heat transfer by use of large eddy simulation (LES) approach coupled with dynamic subgrid-scale (SGS) models. The objective of this study is to deal with the effect of the temperature oscillation on turbulent behavior of thermally stratified turbulent channel flow and to examine the effectiveness of the LES technique for predicting statistically unsteady turbulent flow driven by time-varying buoyancy force. To validate the present calculation, thermally stratified shear turbulent channel flow is computed and compared with available data obtained by direct numerical simulation (DNS), which confirm that the present approach can be used to predict thermally stratified turbulent channel flow satisfactorily. Further, to illustrate the effect of the temperature oscillation with different Richardson numbers and periods of the oscillation on turbulence characteristics, the phase-averaged mean value and fluctuation of the resolved velocities and temperature, and instantaneous velocity fluctuation structures are analyzed.     

An efficient immersed boundary-lattice Boltzmann method for the hydrodynamic interaction of elastic filaments

We have introduced a modified penalty approach into the flow-structure interaction solver that combines an immersed boundary method (IBM) and a multi-block lattice Boltzmann method (LBM) to model an incompressible flow and elastic boundaries with finite mass. The effect of the solid structure is handled by the IBM in which the stress exerted by the structure on the fluid is spread onto the collocated grid points near the boundary. The fluid motion is obtained by solving the discrete lattice Boltzmann equation. The inertial force of the thin solid structure is incorporated by connecting this structure through virtual springs to a ghost structure with the equivalent mass. This treatment ameliorates the numerical instability issue encountered in this type of problems. Thanks to the superior efficiency of the IBM and LBM, the overall method is extremely fast for a class of flow-structure interaction problems where details of flow patterns need to be resolved. Numerical examples, including those involving multiple solid bodies, are presented to verify the method and illustrate its efficiency. As an application of the present method, an elastic filament flapping in the Kármán gait and the entrainment regions near a cylinder is studied to model fish swimming in these regions. Significant drag reduction is found for the filament, and the result is consistent with the metabolic cost measured experimentally for the live fish.     

Asymmetrically solvated anion with both kinetic and thermodynamic stabilities: Theoretical studies on the cluster anions (HF)n - (n=3-6)

At the level of MP2 with the aug-cc-pVDZ and aug-cc-pVTZ basis sets supplemented with diffuse bond functions, the authors searched the potential energy surfaces of (HF)(n) (-) (n=3-6). In accordance with the literature, they found that the symmetrically solvated-electron anion (3(FH){e}) possesses the largest vertical detachment energy (VDE), while the dipole-bound anion ((FH)(3){e}) is the lowest isomer in energy for (HF)(3) (-). Their calculations demonstrated that, with the increase of the cluster size, the asymmetric (FH)(a){e}(HF)(b) cluster is stabilized with a simultaneously increased VDE. Thus they predicted that, for (HF)(6) (-), the (FH)(4){e}(HF)(2) cluster is both kinetically and thermodynamically most stable, possessing the largest VDE and being the global minimum at the same time.     

Flutter of Finite-Span Flexible Plates in Uniform Flow

The flutter instability and response of finite-span flexible plates in uniform flow are investigated experimentally. The effects of the plate aspect ratio on its dynamic responses are mainly analyzed. A hysteretic phenomenon is observed and can be described such that the plate flutters spontaneously as the flow velocity is greater than a critical value UC and the plate returns to its stable state as the flow velocity is slowly decreased to another critical one UD. We find that the aspect ratio has a greater effect on UC than on UD. The flutter frequency decreases and the amplitude increases with the increase in the flow velocity. When the flutter instability of the plate occurs, three typical flutter modes are identified and are associated with the aspect ratio and the flow velocity.