壳聚糖和PDMDAAC改性膨润土用于处理含油废水的研究

含油废水污染范围广,对人类和生态环境危害大。采用常规方法(如浮选法、絮凝法、电化学法、膜分离法和生物法)处理的除油率不高于91%,成本较高,因此急需开发一种高效低廉的吸附剂。膨润土是一种优良的吸附剂,但用其直接处理含油废水的效果较低。本文选用壳聚糖和PDMDAAC两种有机物作为改性剂,对钠基膨润土改性,使膨润土能有效地处理含油废水。通过实验比较了两种有机改性膨润土处理含油废水的最佳去除条件,探讨了表征对其吸附性能的影响。去油效果结果表明:壳聚糖改性膨润土的除油率可达87.8%,PDMDAAC改性膨润土的除油率可达89.3%,处理所需时间少于15 min;除油效率和处理时间都优于常规方法。吸附性能表征结果显示,两种改性剂均以负载的方式和钠基膨润土颗粒结合,吸附性能良好;相比而言,PDMDAAC改性膨润土的处理效果比壳聚糖改性膨润土更好。PDMDAAC应用于含油废水的处理,具有成本低、效率高、操作简单的特点,在含油废水处理领域具有较好的应用前景。     

A modeling of the structure and favorable H-docking sites and defects for the high-pressure silica polymorph stishovite

Employing first-principles methods, the docking sites for H were determined and H, Al, and vacancy defects were modeled with an infinite periodic array of super unit cells each consisting of 27 contiguous symmetry nonequivalent unit cells of the crystal structure of stishovite. A geometry optimization of the super-cell structure reproduces the observed bulk structure within the experimental error when P1 translational symmetry was assumed and an array of infinite extent was generated. A mapping of the valence electrons for the structure displays mushroom-shaped isosurfaces on the O atom, one on each side of the plane of the OSi₃ triangle in the nonbonded region. An H atom, placed in a cell near the center of the super cell, was found to dock upon geometry optimization at a distance of 1.69 Å from the O atom with the OH vector oriented nearly perpendicular to the plane of the triangle such that the OH vector makes a angle of 91° with respect to [001]. However, an optimization of a super cell with an Al atom replacing Si and an H atom placed nearby in a centrally located cell resulted in an OH distance of 1.02 Å with the OH vector oriented perpendicular to [001] as observed in infrared studies. The geometry-optimized position of the H atom was found to be in close agreement with that (0.44, 0.12, 0.0) determined in an earlier study of the theoretical electron density distribution. The docking of the H atom at this site was found to be 330 kJ mol^–1 more stable than a docking of the atom just off the shared OO edge of the octahedra as determined for rutile. A geometry optimization of a super cell with a missing Si generated a vacant octahedra that is 20% larger than that of the SiO₆ octahedra. The valence electron density distribution displayed by the two-coordinate O atoms that coordinate the vacant octahedral site is very similar to those displayed by the bent SiOSi angles in coesite. The internal distortions induced by the defect were found to diminish rather rapidly with distance, with the structure annealing to that observed in the bulk crystal to within about three coordination spheres.     

应用FTIR-XRD-XRF分析测试技术研究新型仿制绿松石的矿物学特征

近年来绿松石及其仿制品的鉴定工作较多局限于应用傅里叶变换红外光谱对仿制品进行简单的筛选,前人报道的仿制绿松石的矿物组成主要为单一的矿物相(如异极矿、三水铝石、磷铝石、羟硅硼钙石、菱镁矿等)。本文应用傅里叶变换红外光谱(FTIR)、X射线粉晶衍射(XRD)与X射线荧光光谱(XRF)对当前珠宝市场上几种新型仿制绿松石进行了初步分类,并对不同类别的仿制绿松石的具体矿物组成、物相及晶型特征作了对比研究。结果表明,这些新型仿制绿松石可分为三大类:一类主要由硅酸盐(斜硅钙石)与碳酸盐(方解石)两种矿物组成;另一类为白云石与方解石两种碳酸盐矿物的混合相;第三类以硅酸盐类为主要矿物,并含有钡长石、辉石与石英。显然,新型仿制绿松石的矿物组成明显相异于传统仿制品,可见仿制绿松石的矿物组成日趋多样性、复杂化,该现状必然对新型仿制样品的物相鉴定提出了更高的要求。     

Geology and geochemistry of Iberian roofing slates

This article analyzes the geochemical and mineralogical composition of the roofing slate deposits of the Iberian Peninsula. Most roofing slate deposits are found on Middle and Upper Ordovician terrains, although there are also deposits in the Ediacaran, Cambrian and Devonian terrains. Samples of slate were taken in most of the active quarries of the Iberian Peninsula, and being analyzed by X-ray Diffraction and Fluorescence. Each lithotect or slate productive formation has its own specific proportions of major and trace elements, being able to differentiate between them by using these relationships. This fact is particularly interesting in geological exploration and prospecting, as it allows knowing exactly the slate lithotect, and also for restoration work in the architectural heritage, due to the ability of identifying the source of the original slate tiles.     

全干涉成像的微地震定位方法研究

基于偏移成像的微地震定位方法由于可避免走时拾取误差以及可实现自动化定位等优点被广泛应用.绕射叠加方法将能量沿走时曲线聚焦到空间网格点上,进行成像时需要搜索发震时刻.干涉成像方法利用互相关提取的走时差信息可避免搜索发震时刻,但定位结果受数据信噪比的影响较大.为了进一步提高干涉成像法的定位精度,本文提出一种同时使用互相关和自相关道集的全干涉成像方法,增加的自相关道集提取的S-P走时差可降低震源-检波器方向的定位误差,提高定位精度.单井监测的理论测试和实际数据的研究结果表明,全干涉成像的定位精度高于仅使用互相关道集的干涉成像方法,同时计算效率高于绕射叠加方法.     

A B-spline-based method for radiation and diffraction problems

An open uniform B-spline-based panel method is developed for solution of potential flow problems. In this method, both geometry as well as the field variables are represented by the same open uniform B-spline basis function. The method is initially applied for the radiation problem in unbounded fluid. Computed results for a spheroid of different aspect ratio are found to be in excellent agreement with analytical results. The method is then applied for diffraction problem formulated based on the transient (time-domain) Green's function. Computed results for a hemisphere and Wigley hull are compared with published results and the comparison shows good agreement.     

Time-domain wave diffraction of two-dimensional single and twin hulls

The nonlinear diffraction of 2D single and twin hulls are studied by employing a mixed Eulerian–Lagrangian model based on a higher-order cubic-spline boundary element solver. Two types of simulations are considered. In the first, waves are generated by a piston-type wave-maker in a rectangular tank and in the second case a nonlinear incident wave is assumed to exist in the tank in which the body is introduced. For the application of this model, the full nonlinear diffraction problem is recast in terms of a perturbation wave-field. Computations are performed for rectangular and triangular hull geometries. Computed results show significant nonlinearities, particularly in the heave force. The twin hull results show the influence of wave interference on the diffraction forces. This interference influences the surge force considerably, but heave force is less affected.     

影响衍射层析成像质量的目标空间谱重建

衍射层析成像可划分为两步,即由散射数据确定目标空间谱,再由目标空间谱重建目标特性。本文通过计算机模拟讨论由Fourier 衍射定理所重建的目标空间谱,及其对成像的影响。     

Electron density distribution of FeTiO<Subscript>3</Subscript> ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities

Many of ilmenites ABO₃ compounds bearing transition elements have semiconductive, ferroelectric and antiferromagnetic properties. The high-pressure diffraction studies of FeTiO₃ have been conducted up to 8.2 GPa using synchrotron radiation in KEK at Tsukuba with diamond anvil cell. The compression mechanism of FeTiO₃ ilmenite has been investigated by the structure refinements converged to the reliable factors R = 0.05. The deformations of the FeO₆ and TiO₆ octahedra were reduced with increasing pressure. In order to elucidate the electric conductivity change with pressure, electron density distribution of ilmenite have been executed by maximum entropy method (MEM) using single-crystal diffraction intensity data. MEM based on F _obs(hkl) of FeTiO₃ clearly shows electron density in comparison with the difference Fourier synthesis based on F _obs(hkl) − F _calc(hkl). The radial distribution of the electron density indicates electron localization around the cation positions. The bonding electron density found in bond Fe–O and Ti–O is lowered with pressure. The isotropic temperature factors B _iso become smaller with increasing pressure. Nevertheless the thermal vibration is considerably restrained by the compression, the electric conductivity is enhanced with pressure. Neither charge transfer nor electron hopping between Fe and Ti along the c axis in FeTiO₃ is plausible under high pressure. But the electric conductivity due to electron super-exchange in Fe–Fe and Ti–Ti has been clarified by the MEM electron density distribution. The anisotropy in the electric conductivity has been clarified.     

X射线荧光光谱-X射线衍射研究宁夏贺兰石岩石矿物学特征

宁夏贺兰石是中国砚用名石之一,开发应用越来越广泛,对其进行系统的基础研究具有重要的现实意义。但目前仅有初步的人工实验,缺乏系统的矿物学研究。本文采用常规宝玉石学测试结合薄片鉴定、X射线荧光光谱、X射线粉晶衍射等矿物谱学分析测试方法,解析贺兰石的宝石学特征、化学成分、岩石结构及矿物组成特征。结果表明:贺兰石主要组成矿物为水云母~绢云母,次为褐铁矿(氧化铁质)、石英(砂质碎屑)、绿泥石和微量的赤铁矿、金红石、电气石等;主要化学成分为SiO_2、Al_2O_3、TFe_2O_3、K_2O、MgO、TiO_2、CaO、P_2O_5;折射率1.56~1.57,密度2.81~2.86g/cm~3,摩氏硬度3~4。初步探讨了贺兰石致色成因,基于Fe元素形态及含量与贺兰石颜色具相关关系,认为Fe元素是宁夏贺兰石致色的主要因素。本研究基本确定了贺兰石的大部分特征参数,为后续建立准确的命名及鉴定方法提供了技术支撑。