离子色谱测定土壤中Cl-和SO2-4

介绍了离子色谱法测定土壤中Cl-和SO2-4的可行性以及相关的前处理方法,通过一定前处理方法,减少土壤中杂质对测定的干扰和对色谱柱的污染.有效选取提取液的种类和浓度及提取时间,准确测定了土壤中Cl-和SO2-4含量.Cl-和SO2-4的相对标准偏差分别为2.70%、2.89%,检出限分别为0.1950、0.2230μg·mL-1,平均回收率分别为106.7%,95.8%.方法简便,快速、灵敏度高.     

一种基于高斯混合模型的改进EM算法研究

针对传统EM算法存在估计参数不具有最优性,以及在参数估计中需要人工参与等问题,提出一种基于高斯混合模型的改进EM算法。采用无人工参与的无监督思想,获取高斯混合模型对直方图拟合的最优参数组合。实验表明,该算法不仅能够快速地估计模型参量,而且能够给出最优参数,并在图像增强中使细节更明显,对比度更适中。     

A novel evacuation passageway formed by a breathing air supply zone combined with upward ventilation

With the development of transportation, the tunnel has become one of the important facilities of railway, highway and subway transportation. However, fire hazards occurring inside the tunnel may incur huge numbers of casualties and property losses. In this paper, a breathing air supply zone combined with an upward ventilation assisted tunnel evacuation system (BTES) is introduced. It can be used to create a safe, smoke-free evacuation passageway out of the tunnel. The BTES is optimized to achieve high-performance. The impacts of heat release rates, fire source locations and fire detection times are also discussed.     

Coulomb‐enhanced spin–orbit coupling and semiconductor to half‐metal transition under pressure in Sr2CrReO6

Ordered Sr₂CrReO₆ has been synthesized recently. It is measured to be ferrimagnetic semiconductor, in contrary to the previous reports of metallic properties. To solve the discrepancy, we have investigated the compound by using the density functional theory. The semiconducting behavior is reproduced by including the electron correlation and spin–orbit coupling simultaneously. The calculated band gap is 0.22 eV, close to the experimental value of 0.21 eV. A large orbital moment of 0.69µ_B is found for Re, which is caused by the Coulomb‐enhanced spin–orbit coupling. By applying pressure, a semiconductor to half‐metal transition is observed through 5% volume compression.

     

点缺陷光子晶体传播特性的研究

应用平面波展开法数值模拟了空气洞六角晶格结构点缺陷光子晶体的传输特性,得到了传输模式图和波长变化关系,为光子晶体器件的开发提供了理论依据。     

低速~(40)Ar~(17+)离子入射金属Be表面发射的近红外光谱线和X射线谱

用速度不同的(动能EK=272和357keV,速度v=1.14×106和1.72×106m/s)的高电荷态离子40Ar17+分别入射金属Be表面,同时测量这种相互作用过程中产生的近红外光谱线和X射线谱。实验结果表明,在低速范围内(速度小于玻尔速度vBohr=2.19×106m/s),速度较小的40Ar17+离子在到达金属的表面临界距离Rc到进入表面(2—3原子层)的进程中,形成了较多的高激发态Ar原子,其退激辐射较强的光谱线,进而验证了经典过垒模型。     

DFT study and quantitative detection by surface‐enhanced Raman scattering (SERS) of ethyl carbamate

Ethyl carbamate (EC), a potentially toxic compound, is found in alcoholic beverages and fermented foodstuff. A combined experimental and theoretical study of Raman on EC is reported in this work for the first time. The Raman bands observed for EC in solid phase are characteristic for the carbonyl group, C―C, C―H and N―H stretching and deformation vibrations. These spectral features coupled with a pKa study allowed establishing the neutral species of EC present in the aqueous solutions experimentally tested at different concentrations. In addition, by performing a density functional theory study in the gas phase, the calculated geometry, the harmonic vibrational modes, and the Raman scattering activities of EC were found to be in good agreement with our experimental data and helped establish the surface‐enhanced Raman scattering (SERS) behavior and EC adsorption geometry on the silver surfaces. The Raman peak at 1006 cm⁻¹, assigned to the υ_s(CC) + ω(CH) modes, the strongest and best reproducible peak in the SERS spectra, was used for a quantitative evaluation of EC. The limit of detection, which corresponds to a signal‐to‐noise ratio equal to 3, was found to be 2 × 10⁻⁷ M (17.8 µg l⁻¹). SERS spectra obtained by using hydroxylamine hydrochloride‐reduced silver nanoparticles provide a fast and reproducible qualitative and quantitative determination of EC in aqueous solution. Copyright © 2013 John Wiley & Sons, Ltd.     

An Error Analysis for the Finite Element Approximation to the Steady-State Poisson-Nernst-Planck Equations

Poisson-Nernst-Planck equations are a coupled system of nonlinear partial differential equations consisting of the Nernst-Planck equation and the electrostatic Poisson equation with delta distribution sources, which describe the electrodiffusion of ions in a solvated biomolecular system. In this paper, some error bounds for a piecewise finite element approximation to this problem are derived. Several numerical examples including biomolecular problems are shown to support our analysis.     

无菌与带菌盐藻矿质元素含量的比较分析

采用火焰原子吸收光度法分别测定了对数初、中、末期无菌与带菌盐藻细胞及上清液中Mg,Fe,K,Ca,Na,Mn,Zn,Cu,Ni,Cd和Cr的含量。结果表明:(1)该盐藻Mg,Fe,K,Ca和Na的含量在1～10mg.g-1之间,Zn,Cu,Mn和Ni的含量基本在0.1～1 mg.g-1之间,有害金属Cd和Cr的含量极微。(2)无菌与带菌盐藻不同时期矿质元素的变化趋势大致相同,Mg,Fe,K,Ca,Na,Mn和Cu的含量随着培养时间的延长有所下降,Ca下降的最明显;Mg,Fe,K,Ca和Na的含量在上清液中保持稳定,无明显差异,而Cu和Mn含量在对数中后期的上清液中明显增加。(3)无菌与带菌盐藻Mg,K,Cu和Ni的含量差异不大;带菌盐藻的Fe,Ca,Na和Zn的含量在对数中期均显著下降,且低于无菌盐藻;而到对数末期又明显高于无菌盐藻。本实验结果为进一步利用盐藻资源以及深入研究藻菌相互作用机理提供了参考。     

N掺杂TiO_2纳米管阵列的制备与性质研究

本文采用阳极氧化法制备了孔径为60-80nm,孔壁厚约为20-30nm的高有序度TiO2纳米管。将制备的TiO2纳米管经表面酸化后在浓氨水中浸泡,并于氮气气氛中进行退火处理,以实现TiO2纳米管的N掺杂。利用SEM、XRD、Raman和XPS对样品的形貌与结构进行了研究。结果显示,掺N后不会破坏阳极氧化形成的高有序纳度米管阵列,而且N的引入促进了TiO2纳米管在低温下由锐钛矿相向金红石相的转变。N掺杂样品的XPS中出现了结合能位于399.7 eV的峰,该峰来源于TiO2的间隙氮杂质,显示此方法在TiO2纳米管中实现了有效的N的掺杂。