城市表层土壤重金属污染风险等级评价

利用MATLAB软件编写程序作图,直观得到重金属污染元素Hg,Cu,Zn,Cr,Pb,Cd,Ni,As在不同区域(生活区、工业区、山区、主干道路、公园绿地区)的空间分布,并且对同一区域各种重金属的含量浓度作图,直观得出了各个区的污染情况.为了从理论上进行说明,利用单因子指数法计算出土壤中各项污染因子的含量,然后用尼梅罗综合污染指数法对不同区域的污染程度进行定量分析,得出生活区、工业区、山区、主干道路、公园绿地区的综合污染指数依次为(3.1706,13.1887,1.2735,9.3696,2.7003),从而确定了某城区重金属的主要污染源.以此能够更为科学、综合的评价该区域内总体土壤质量状况.     

Interplay of superconductivity and d-f correlation in CeFeAs_(1-x)P_xO_(1-y)F_y

The recent discovery of high-temperature superconductivity in iron-based pnictides (chalcogenides) not only triggers tremendous enthusiasm in searching for new superconducting materials, but also opens a new avenue to the study of the Kondo physics. CeFeAsO is a parent compound of the 1111-type iron-based superconductors. It shows 3d-antiferromagnetic (AFM) ordering below ～ 139 K and 4f-AFM ordering below ～ 4 K. On the other hand, the phosphide CeFePO is a ferromagnetically correlated heavy-fermion (HF) metal with Kondo scale T K ～ 10 K. These properties set up a new platform for research of the interplay among magnetism, Kondo effect, and superconductivity (SC). In this review, we present the recent progress in the study of chemical pressure effect in CeFeAsO 1-y F y (y = 0 and 0.05). This P/As-doping in CeFeAsO serves as an effective controlling parameter which leads to two magnetic critical points, x c1 0.4 and x c2 0.92, associated with suppression of 3d and 4f magnetism, respectively. We also observe a turning point of AFM-FM ordering of Ce 3+ moment at x c3 0.37. The SC is absent in the phase diagram, which is attributed to the destruction to Cooper pair by Ce-FM fluctuations in the vicinity of x c1 . We continue to investigate CeFeAs 1-x P x O 0.95 F 0.05 . With the separation of x c1 and x c3 , this chemical pressure results in a broad SC region 0≤ x ≤ 0.53, while the original HF behavior is driven away by 5% F doping. Different roles of P and F dopings are addressed, and the interplay between SC and Ce-4f magnetism is also discussed.     

Size-dependent thermal stresses in the core–shell nanoparticles

The thermal stress in a magnetic core–shell nanoparticle during a thermal process is an important parameter to be known and controlled in the magnetization process of the core–shell system. In this paper we analyze the stress that appears in a core–shell nanoparticle subjected to a cooling process. The external surface temperature of the system, considered in equilibrium at room temperature, is instantly reduced to a target temperature. The thermal evolution of the system in time and the induced stress are studied using an analytical model based on a time-dependent heat conduction equation and a differential displacement equation in the formalism of elastic displacements. The source of internal stress is the difference in contraction between core and shell materials due to the temperature change. The thermal stress decreases in time and is minimized when the system reaches the thermal equilibrium. The radial and azimuthal stress components depend on system geometry, material properties, and initial and final temperatures. The magnitude of the stress changes the magnetic state of the core–shell system. For some materials, the values of the thermal stresses are larger than their specific elastic limits and the materials begin to deform plastically in the cooling process. The presence of the induced anisotropy due to the plastic deformation modifies the magnetic domain structure and the magnetic behavior of the system.     

Study of mass consistency LES/FDF techniques for chemically reacting flows

A hybrid large eddy simulation/filtered density function (LES/FDF) approach is used for studying chemically reacting flows with detailed chemistry. In particular, techniques utilised for ensuring a mass consistent coupling between LES and FDF are discussed. The purpose of these techniques is to maintain a correct spatial distribution of the computational particles representing specified amounts of fluid. A particular mass consistency technique due to Y.Z. Zhang and D.C. Haworth (A general mass consistency algorithm for hybrid particle/finite-volume PDF methods, J. Comput. Phys. 194 (2004), pp. 156–193) and their associated algorithms are implemented in a pressure-based computational fluid dynamics code suitable for the simulation of variable density flows, representative of those encountered in actual combustion applications. To assess the effectiveness of the referenced technique for enforcing LES/FDF mass consistency, two- and three-dimensional simulations of a temporal mixing layer using detailed and reduced chemistry mechanisms are carried out. The parametric analysis performed focuses on determining the influence on the level of mass consistency errors of parameters such as the initial number of particles per cell and the initial density ratio of the mixing layers. Particular emphasis is put on the computational burden that represents the use of such a mass consistency technique. The results show the suitability of this type of technique for ensuring the mass consistency required when utilising hybrid LES/FDF approaches. The level of agreement of the computed results with experimental data is also illustrated.     

A subgrid model for clustering of high-inertia particles in large-eddy simulations of turbulence

Clustering (or preferential concentration) of inertial particles suspended in a homogeneous, isotropic turbulent flow is strongly influenced by the smallest scales of the turbulence. In particle-laden large-eddy simulations (LES) of turbulence, these small scales are not captured by the grid and hence their effect on particle motion needs to be modelled. In this paper, we use a subgrid model based on kinematic simulations of turbulence (Kinematic Simulation based SubGrid Model or KSSGM), for the first time in the context of predicting the clustering and the relative velocity statistics of inertial particles. This initial study focuses on the special case of inertial particles in the absence of gravitational settling. We show that the KSSGM gives excellent predictions for clustering in a priori tests for inertial particles with St ≥ 2.0, where St is the Stokes number, defined as the ratio of the particle response time to the Kolmogorov time-scale. To the best of our knowledge, the KSSGM represents the first model that has been shown to capture the effect of the subgrid scales on inertial particle clustering for St ≥ 2.0. We also show that the mean inward radial relative velocity between inertial particles (?w_r?^(?), which enters into the formula for the collision kernel) is accurately predicted by the KSSGM for all St. We explain why the model captures clustering at higher St?but not for lower St?, and provide new insights into the key statistical parameters of turbulence that a subgrid model would have to describe, in order to accurately predict clustering of low-St?particles in an LES.     

Effects of inclined impermeable bed on the turbulent characteristics of the flow using particle image velocimetry

In this study, the turbulent characteristics of the flow in an open channel with horizontal and inclined impermeable beds were studied experimentally using two-dimensional particle image velocimetry (PIV). The experiments were conducted in a channel of 6.5 m in length, 7.5 cm in width and 25 cm in height. The slope of the channel was S = 0 for the horizontal impermeable bed and for S = ?0.002, S = ?0.004 and S = ?0.006 for the inclined impermeable bed. Hydraulic characteristics such as distributions of velocities, turbulent intensities and Reynolds stress are investigated at a fine resolution using the PIV. Velocity is measured above the horizontal and inclined impermeable bed for the same different heights (h = 5, 7, 9, 11 and 13 cm) and for the same different discharges (Q = 0.735, 0.845 and 0.970 lt/s). Results show that the channel slope influences significantly near the impermeable bed but not near the free surface the variation of turbulent characteristics of the flow and also the alteration of the channel slope from ?0.002 to ?0.006 doesn't influence the variation of turbulent characteristics of the flow, which are the longitudinal turbulent intensity u′U_*, the vertical turbulent intensity v′/U_* and the turbulent kinetic energy. The channel slope doesn't influence the Reynolds stress.     

On the role of anisotropic turbomachinery flow structures in inter-scale turbulence energy flux as deduced from SPIV measurements

The present study uses stereoscopic particle image velocimetry in the rotor exit of a centrifugal turbomachine to analyse anisotropy and geometrical characteristics of tensorial flow quantities. The purpose is to identify dominant topologies of turbulence stress tensor and principal directions of flow structures. The misalignment between principal directions of strain and turbulence stress tensors is more evident in the jet–wake interaction regions and questions the eddy-viscosity models which assume an exact alignment between stress/strain eigenvectors. Anisotropy analysis based on the barycentric approach shows that the disk-like structure and/or the rod-like structure limiting states of turbulence are the most frequent topologies of turbulence stress. Additionally, planar straining is the dominant deformation characteristic in the measurement area. These anisotropic behaviours considerably attribute to the turbulence energy cascade. Conditional isolation of flow structures based on inter-scale energy flux shows that a larger extent of turbulence stress anisotropy results in a larger energy flux and therefore significantly affects the dynamics of turbulent flow structures.     

Spectroscopic characterization of cadion: UV–vis,resonance Raman and DFT calculations of a versatile metal complexing agent

The spectroscopic characterization of cadion or 1‐(4‐nitrophenyl)‐3‐(4‐phenylazophenyl)triazene, its anionic species and its complexes with Hg²⁺, Cd²⁺ and Ni²⁺ in DMSO solution is presented. Resonance Raman (RR) and UV–vis spectroscopy were the techniques of choice with results supported by density functional theory calculations. As previously reported, the UV–vis data indicate distinct absorption spectra for the five species mentioned, allowing for spectrophotometric metal differentiation. In order to understand the electronic spectra of such species, we performed a detailed RR investigation, where the spectral profiles revealed the vibrational modes mainly involved in the chromophoric moieties. The distinct enhancement profile observed for each species suggests that the charge transfer from the π‐system to the electron withdrawing NO₂ group is modulated by the electron donating triazene moiety, depending on the metal attached. The results reported herein show that RR spectroscopy can be potentially used in the metal detection of multicomponent samples by the proper choice of the excitation wavelength. Copyright © 2012 John Wiley & Sons, Ltd.     

Surface enhanced Raman scattering of molecules related to highly ordered gold cavities

We presented a controlled particles‐in‐cavity (PIC) pattern for surface‐enhanced Raman scattering (SERS) detection. The periodic gold cavity array was fabricated by electrodeposition using highly ordered polystyrene spheres as a template. The as‐prepared gold cavities can be used as a SERS active substrate with significant spectral enhancement and reproducibility, which was evaluated by SERS signals using 4‐mercaptobenzoic acid (4‐MBA) as probe molecules. The surface of these gold cavities was further functionalized with cetyltrimethylammonium bromide molecules, which may immobilize the 4‐MBA‐modified silver nanoparticles in the gold cavity to form a PIC structure via the electrostatic interaction. We have demonstrated that there exists a pH window for the immobilization of the nanoparticles inside cavities. Therefore, the silver nanoparticles can be selectively immobilized into the functionalized gold cavities under the optimized pH value of the media. Further enhancement of the Raman scattering of the labeled molecules can be achieved due to the interconnection between the silver nanoparticles and gold cavity. Copyright © 2013 John Wiley & Sons, Ltd.     

Influence of sintering temperature and pH on the phase transformation,particle size and anti-reflective properties of RHA nano silica powders

Nano silica powders were synthesized from rice husk ash, the most silica-rich raw material, using alkaline extraction followed by acid precipitation. The phase transformation during sintering, the influence of sintering temperature and pH on the particle size and anti-reflective properties of nano silica were investigated. The results showed that the amorphous SiO₂ sintered at 600°C were transformed to a cristobalite structures completely during the sintering process at 800°C and 1100°C. With the increasing sintering temperature and pH, the particle size distributions (d₅₀) were increased respectively in the range of 62–84, 192–240, and 283–329?nm at sintering temperatures of 600°C, 800°C, and 1100°C. When the sintering temperatures were increased at 1100°C, 98.15% and 96.84% of transmittances were obtained respectively at the highest and lowest points of the anti-reflection band and could be used for anti-reflective applications.