流动注射-阳离子交换预富集-ICP-AES 法在线分析磷矿中钙、镁、铝、铁的研究

用 732型强酸性阳离子交换树脂分离富集 ,并与改进的流动注射 (双流路 )相结合 ,建立了新型、高效的流动注射 -阳离子交换预富集 - ICP- AES在线分析体系。研究了酸度、流速、淋洗剂浓度等的选择、共存离子的干扰情况并应用于矿样的分析。 Ca,Mg,Al,Fe各元素的检出限分别为 0 .9μg/ L,0 .6 μg/ L,5.5μg/ L,1 .4μg/ L;1 0次测量的相对标准偏差分别为 3.4 4% ,1 .53% ,1 .6 0 % ,2 .58%。回收率在 93.0 %～ 1 0 1 .4 %之间。分析速度可达每小时 4 0个样品。     

Determination of selenomethionine by high performance liquid chromatography-direct hydride generation-atomic absorption spectrometry

A simple, reliable, trace determination of selenomethionine (Semet) based on a direct hydride generation atomic absorption spectrometric method was developed using sodium tetrahydroborate (0.3% in 0.2% NaOH) and hydrochloric acid (3 M). The method excluded any chemical pretreatment prior to hydride generation (HG). The optimized HG system was successfully coupled with the HPLC system. The detection limit (3σ of blank; n=5), reproducibility (R.S.D. of three successive analyses/day, performed on three different days), and repeatability (R.S.D. of three successive analyses) of the method were 1.08 ng ml⁻¹, 9.8% for 9.04 ng ml⁻¹ and 2.1–9.5% for 30.0–1.27 ng ml⁻¹ Semet as Se (standards prepared in Milli-Q water). Calibration graph was linear up to 30 ng ml⁻¹. This HPLC-HG-AAS method is very promising and successfully determined Semet (spiked) in human urine.     

High‐order k‐exact WENO finite volume schemes for solving gas dynamic Euler equations on unstructured grids

This paper presents a family of High‐order finite volume schemes applicable on unstructured grids. The k‐exact reconstruction is performed on every control volume as the primary reconstruction. On a cell of interest, besides the primary reconstruction, additional candidate reconstruction polynomials are provided by means of very simple and efficient ‘secondary’ reconstructions. The weighted average procedure of the WENO scheme is then applied to the primary and secondary reconstructions to ensure the shock‐capturing capability of the scheme. This procedure combines the simplicity of the k‐exact reconstruction with the robustness of the WENO schemes and represents a systematic and unified way to construct High‐order accurate shock capturing schemes. To further improve the efficiency, an efficient problem‐independent shock detector is introduced. Several test cases are presented to demonstrate the accuracy and non‐oscillation property of the proposed schemes. The results show that the proposed schemes can predict the smooth solutions with uniformly High‐order accuracy and can capture the shock waves and contact discontinuities in high resolution. Copyright © 2011 John Wiley & Sons, Ltd.     

A dual‐weighted trust‐region adaptive POD 4‐D Var applied to a finite‐volume shallow water equations model on the sphere

In this paper we study solutions of an inverse problem for a global shallow water model controlling its initial conditions specified from the 40‐yr ECMWF Re‐analysis (ERA‐40) data sets, in the presence of full or incomplete observations being assimilated in a time interval (window of assimilation) with or without background error covariance terms. As an extension of the work by Chen et al. (Int. J. Numer. Meth. Fluids 2009), we attempt to obtain a reduced order model of the above inverse problem, based on proper orthogonal decomposition (POD), referred to as POD 4D‐Var for a finite volume global shallow water equation model based on the Lin–Rood flux‐form semi‐Lagrangian semi‐implicit time integration scheme. Different approaches of POD implementation for the reduced inverse problem are compared, including a dual‐weighted method for snapshot selection coupled with a trust‐region POD adaptivity approach. Numerical results with various observational densities and background error covariance operator are also presented. The POD 4‐D Var model results combined with the trust‐region adaptivity exhibit similarity in terms of various error metrics to the full 4D Var results, but are obtained using a significantly lesser number of minimization iterations and require lesser CPU time. Based on our previous and current work, we conclude that POD 4‐D Var certainly warrants further studies, with promising potential of its extension to operational 3‐D numerical weather prediction models. Copyright © 2011 John Wiley & Sons, Ltd.     

DFT Study on Some Properties of Polybrominated Phenoxathiin 10-Oxides

With the B3LYP calculation method of density functional theory(DFT)and the 6-31G* basis set,full optimization calculation was made for phenoxathiin10-oxide(PTO)and 135 polybromine phenoxathiin 10-oxides(PBPTOs)with the Gaussian 03 program and molar heat capacity in constant volume(CVθ)value of each molecule in the standard state was obtained.The relation between CVθ and the substitution position and number of bromine atom(NPBS)was studied,and the results indicated good correlation(R2 = 1.000)between CVθ and NPBS of PBPTO compounds.Based on the output file of Gaussian 03 program,molar heat capacity at constant pressure(Cp,m)of PBPTO compounds from 200 to 1,000 K was calculated with the statistical thermodynamics program,and the correlation equation between Cp,m and temperature(T,T-1 and T-2)was obtained with the least-squares method,and the correlation coefficient of the correlation equation(R2)was 1.000.In addition,based on the partition function of each molecule calculated by vibration analysis,the relative rate constant of formation of each molecule was calculated.     

Implementation of physical boundary conditions into computational domain in modelling of oscillatory bottom boundary layers

This paper discusses the importance of realistic implementation of the physical boundary conditions into computational domain for the simulation of the oscillatory turbulent boundary layer flow over smooth and rough flat beds. A mathematical model composed of the Reynolds averaged Navier–Stokes equation, turbulent kinetic energy (k) and dissipation rate of the turbulent kinetic energy (ε) has been developed. Control‐volume approach is used to discretize the governing equations to facilitate the numerical solution. Non‐slip condition is imposed on the bottom surface, and irrotational main flow properties are applied to the upper boundary. The turbulent kinetic energy is zero at the bottom, whereas the dissipation rate is approaching to a constant value, which is proportional to the kinematic viscosity times the second derivative of the turbulent kinetic energy. The output of the model is compared with the available experimental studies conducted in oscillatory tunnels and wave flume. It is observed that the irrotational flow assumption at the upper boundary is not realistic in case of water tunnels. Therefore, new upper boundary conditions are proposed for oscillatory tunnels. The data of wave flume show good agreement with the proposed numerical model. Additionally, several factors such as grid aspect ratio, staggered grid arrangement, time‐marching scheme and convergence criteria that are important to obtain a robust, realistic and stable code are discussed. Copyright © 2009 John Wiley & Sons, Ltd.     

A hybrid FVM–LBM method for single and multi‐fluid compressible flow problems

The lattice Boltzmann method (LBM) has established itself as an alternative approach to solve the fluid flow equations. In this work we combine LBM with the conventional finite volume method (FVM), and propose a non‐iterative hybrid method for the simulation of compressible flows. LBM is used to calculate the inter‐cell face fluxes and FVM is used to calculate the node parameters. The hybrid method is benchmarked for several one‐dimensional and two‐dimensional test cases. The results obtained by the hybrid method show a steeper and more accurate shock profile as compared with the results obtained by the widely used Godunov scheme or by a representative flux vector splitting scheme. Additional features of the proposed scheme are that it can be implemented on a non‐uniform grid, study of multi‐fluid problems is possible, and it is easily extendable to multi‐dimensions. These features have been demonstrated in this work. The proposed method is therefore robust and can possibly be applied to a variety of compressible flow situations. Copyright © 2009 John Wiley & Sons, Ltd.     

APPLICATION OF THE MODIFIED METHOD OF MULTIPLE SCALES TO THE BENDING PROBLEMS FOR CIRCULAR THIN PLATE AT VERY LARGE DEFLECTION AND THE ASYMPTOTICS OF SOLUTIONS(Ⅱ)

ＩｎｔｒｏｄｕｃｔｉｏｎＩｎ［１］，ｔｈｅｓｅｒｉｅｓｓｏｌｕｔｉｏｎｓｏｆｔｈｅｃｉｒｃｕｌａｒｐｌａｔｅｗｉｔｈｈｉｎｇｅｄｅｄｇｅａｎｄｗｉｔｈｔｈｅｓｉｍｐｌｙｓｕｐｐｏｒｔｅｄｅｄｇｅｈａｓｙｅｔｂｅｎｃｏｎｓｔｒｕｃｔｅｄ，ｗｈｉｃｈａ...     

正丁醇在N,N-二甲基甲酰胺+水溶液中的体积性质

测定了２９８。１５Ｋ时正丁醇＋Ｎ，Ｎ－二甲诺甲酰胺（ＤＭＦ）＋水三元系的密度求出正丁醇在ＤＭＦ＋水混合溶剂中的表观摩尔体积。观察２到：⑴Φ＾０．Ｅ～ｆｍ与ＶＤＭＦ＾Ｅ～ｆｍ之间存在相似变化关系，其中Φ２＾０．Ｅ为正丁醇的过量无限稀释表观摩尔体积，ＶＥＭＦ＾Ｅ为ＤＭＦ＋水二元系中ＤＭＦ的过量偏摩尔体积，ｆｍ为混合溶剂中ＤＭＦ的摩尔分数。⑵Ｂ１～ｆｍ与０６２１２＾０．Ｅ～ｆｍ之间存的反向变化关系。Ｂ１     

L2Roe: a low dissipation version of Roe's approximate Riemann solver for low Mach numbers

A modification of the Roe scheme called L²Roe for low dissipation low Mach Roe is presented. It reduces the dissipation of kinetic energy at the highest resolved wave numbers in a low Mach number test case of decaying isotropic turbulence. This is achieved by scaling the jumps in all discrete velocity components within the numerical flux function. An asymptotic analysis is used to show the correct pressure scaling at low Mach numbers and to identify the reduced numerical dissipation in that regime. Furthermore, the analysis allows a comparison with two other schemes that employ different scaling of discrete velocity jumps, namely, LMRoe and a method of Thornber et al. To this end, we present for the first time an asymptotic analysis of the last method. Numerical tests on cases ranging from low Mach number (M_∞=0.001) to hypersonic (M_∞=5) viscous flows are used to illustrate the differences between the methods and to show the correct behavior of L²Roe. No conflict is observed between the reduced numerical dissipation and the accuracy or stability of the scheme in any of the investigated test cases. Copyright © 2015 John Wiley & Sons, Ltd.