Lattice Monte Carlo simulations as link between ab-initio calculations and macroscopic behavior of dopants and defects in silicon

In this work, we show that lattice Monte Carlo simulations can be used to span the time and distance scales between underlying atomistic processes and macroscopic diffusion behavior. We use ab- initio calculations of binding energies versus configuration to calculate hopping rates of vacancies for use in lattice Monte Carlo (LMC) simulations of diffusion and aggregation in silicon. The LMC simulations consider the biased nature of vacancy hop frequencies in the neighborhood of dopants, with interactions up to sixth-nearest- neighbor distances included. We use these simulations to investigate the expected macroscopic diffusion behavior, as well as the process by which dopant/defect aggregation occurs. Specific phenomena investigated include collective behavior leading to greatly enhanced diffusivity at high doping levels, the time dependence of effective diffusivity due to the formation of dopant/vacancy clusters, and dopant fluxes in the presence of a vacancy gradient.     

锡精矿氧化还原焙脱除砷硫半工业性试验

本文全面地论述了锡精矿回转窑氧化还原焙烧脱除砷、硫半工业性试验及其理论基础，介绍了该法脱除砷、硫的工业应用前景及各项技术经济指标。     

A Critical Evaluation of Interlaboratory Data on Total,Elemental, and Isotopic Carbon in the Carbonaceous Particle Reference Material,NIST SRM 1649a

Because of increased interest in the marine and atmospheric sciences in elemental carbon (EC), or black carbon (BC) or soot carbon (SC), and because of the difficulties in analyzing or even defining this pervasive component of particulate carbon, it has become quite important to have appropriate reference materials for intercomparison and quality control. The NIST “urban dust” Standard Reference Material^® SRM 1649a is useful in this respect, in part because it comprises a considerable array of inorganic and organic species, and because it exhibits a large degree of (¹⁴C) isotopic heterogeneity, with biomass carbon source contributions ranging from about 2 % (essentially fossil aliphatic fraction) to about 32 % (polar fraction).A primary purpose of this report is to provide documentation for the new isotopic and chemical particulate carbon data for the most recent (31 Jan. 2001) SRM 1649a Certificate of Analysis. Supporting this is a critical review of underlying international intercomparison data and methodologies, provided by 18 teams of analytical experts from 11 institutions. Key results of the intercomparison are: (1) a new, Certified Value for total carbon (TC) in SRM 1649a; (2) ¹⁴C Reference Values for total carbon and a number of organic species, including for the first time 8 individual PAHs; and (3) elemental carbon (EC) Information Values derived from 13 analytical methods applied to this component. Results for elemental carbon, which comprised a special focus of the intercomparison, were quite diverse, reflecting the confounding of methodological-matrix artifacts, and methods that tended to probe more or less refractory regions of this universal, but ill-defined product of incomplete combustion. Availability of both chemical and ¹⁴C speciation data for SRM 1649a holds great promise for improved analytical insight through comparative analysis (e.g., fossil/biomass partition in EC compared to PAH), and through application of the principle of isotopic mass balance.     

Design and Operation of Point-of-Use Treatment System for Arsenic Removal

A point-of-use (POU) system was designed and constructed using commercially available activated alumina to remove arsenic from drinking water. Testing with City of Albuquerque chlorinated tap water containing an average of 23 ug/L arsenic found that 1 L of adsorbent would provide water for direct consumption by a family of four for 435 days. It was estimated that the POU system constructed for this study could be sold for $162, and the arsenic adsorption columns were estimated to cost $4. A monthly cost to the customer of $10/month was estimated to purchase, install, and operate this POU system, assuming annual replacement of adsorption media cartridges. The implications of relying upon POU systems to comply with a new drinking water standard for arsenic are discussed.     

Species identification of meat products by ELISA

ELISA methods used in this study are proved to detect low contents of animal species (pork, beef, sheep and poultry), even in highly processed foods. They present the advantages of being robust, cheap and easy to perform. Nevertheless, F factors, determining the threshold values of the test, need to be validated for each species.     

硫化法与磁场协同处理含砷废水的研究

采用硫化法与磁场协同处理含砷废水，提高了硫化渣的絮凝沉降速度和过滤速度，并提高了硫化剂的利用率。经磁场处理后，溶液的电导率增加，电势降低，机理分析表明，磁化处理使水的结构发生了变化，改善了水的渗透效果。     

西藏多不杂铜矿区土壤与河床沉积物中重金属元素特征及其环境意义

西藏多不杂铜矿是一大型斑岩型富金铜矿床,已探明铜资源量超过400×10⁴ t,目前尚未开发且研究主要集中于找矿与地质成矿等方面,很少进行环境方面的研究。为了解西藏多不杂铜矿在未开采前矿区重金属元素的富集状况和迁移特性,对多不杂铜矿区地表土壤和萨玛隆河河床沉积物进行了样品采集,测试Cu、Pb、Zn、As、Cd、Cr、Hg等7种重金属元素含量和赋存形态; 采用地累积指数法、内梅罗综合污染指数法、风险评估编码法对矿区重金属元素的富集程度和生物活性进行评价。结果表明:多不杂铜矿区地表土壤和萨玛隆河河床沉积物中的多数重金属元素含量分配受到多不杂铜矿的影响很大,且二者具有显著的相关性; 多不杂铜矿区地表土壤中Cu尤为富集,含量最高达到21 020.000×10^-6,超过《土壤环境质量标准》(GB 15618—1995)中Ⅲ级标准的50倍,综合污染指数为39.43,达到重度污染级别,多数样品的地累积指数也达到极强污染级别,且其生物活性为中度风险,容易迁移转化,对环境的影响很大; 萨玛隆河河床沉积物中Cu最高含量为2 406.000×10^-6,为Ⅲ级土壤环境质量标准的6倍,其综合污染指数为38.13,显示重度污染,污染率为91.6%,但其生物活性为低风险级别,迁移能力较弱,对环境的影响不是很大,但仍不可轻视; Cd虽然含量不高,低于Ⅲ级土壤环境质量标准,但是其在河床沉积物中主要以碳酸盐结合态存在(占比为48.01%),生物活性达到极高风险级别,对环境影响较大; Pb、Zn、As、Cr、Hg含量普遍较低,且生物活性较弱,能够稳定存在于土壤中,基本不会对环境造成影响。     

Fat‐soluble arsenic – new lipids with a sting in their tail

Lipids encompass a myriad of natural compounds with many essential biological functions and applications across the areas of food and nutrition, health and medicine, and modern nanotechnologies. Arsenic has long been known as a highly toxic element. What happens when the two come together?     

Synthesis,characterization and As(III) adsorption behavior of β-cyclodextrin modified hydrous ferric oxide

This study investigates the adsorption of As(III) on β-cyclodextrin modified hydrous ferric oxide (HCC). This is characterized by XRD, FESEM, AFM, XPS, BET, surface site concentration and FTIR. The modification of hydrous ferric oxide (HFO) surface by β-cyclodextrin provides ample OH groups which in turn increase As(III) adsorption on HCC compared to HFO. The adsorption remains almost constant in pH range 3–8 which decreases at higher pH (>8) and followed monolayer and pseudo first order kinetics. It is spontaneous at 303 K with increasing entropy and decreasing enthalpy. Thus HCC is found to be more efficient adsorbent than HFO.     

Preparation of microporous activated carbon and its modification for arsenic removal from water

Arsenic removal from water was investigated using activated carbon. The chemical activated carbon (CAC) prepared using H₃PO₄ from jute stick largely featured micropore structure with surface functional groups, while meso- and macropore structures were mainly developed in physical activated carbon (PAC). The CAC and PAC reduced arsenic concentration to 45 and 55 μg L⁻¹, respectively, from 100 μg L⁻¹ while iron-loaded CAC reduced to 3 μg L⁻¹, which is lower than the upper permissible limit (10 μg L⁻¹). The micropore structure of CAC along with complexation affinity of iron species towards arsenic species attributed to enhanced separation of arsenic.