离子液体吸收废印刷线路板热拆解过程中挥发性有机物——基于COSMO-RS模型

模拟废印刷线路板（WPCB）的热拆解过程,分析热拆解过程中的挥发性有机物（VOCs）组分;利用真实溶剂似导体屏蔽（COSMO-RS）模型对浓度较高的污染物进行量子力学模拟,研究离子液体（ILs）组成单元对目标污染物溶解度的影响差异,分析溶解过程中主导分子间作用力类型,确定优选吸收剂;测定不同溶剂进行溶解性,验证模型适用性.结果表明：①乙酸乙酯和环戊酮是浓度较高的VOCs组分,在240和250℃时浓度分别为43.1,153mg/m³和105,252mg/m³,质量百分比总和分别为76.3%和67.3%.②高表面屏蔽电荷密度分布峰、长烷基链阴阳离子和亲电基团的存在可提高乙酸乙酯和环戊酮在ILs中的溶解度.双三氟甲磺酰基亚胺盐（NTf₂^-）类ILs是一类优良吸收剂.静电力和范德华力对溶解过程起主导作用.③COSMO-RS模型可定性和半定量用于预测乙酸乙酯和环戊酮的溶解度.     

Bioassay: A useful tool for evaluating reclaimed water safety

Wastewater reclamation and reuse has been proved to be an effective way to relieve the fresh water crisis. However, toxic contaminants remaining in reclaimed water could lead to potential risk for reuse, and the conventional water quality standards have difficulty guaranteeing the safety of reclaimed water. Bioassays can vividly reflect the integrated biological effects of multiple toxic substances in water as a whole, and could be a powerful tool for evaluating the safety of reclaimed water. Therefore, in this study, the advantages and disadvantages of using bioassays for evaluating the safety of reclaimed water were compared with those of conventional water quality standards. Although bioassays have been widely used to describe the toxic effects of reclaimed water and treatment efficiency of reclamation techniques, a single bioassay cannot reflect the complex toxicity of reclaimed water, and a battery of bioassays involving multiple biological effects or in vitro tests with specific toxicity mechanisms would be recommended. Furthermore, in order to evaluate the safety of reclaimed water based on bioassay results, various methods including potential toxicology, the toxicity unit classification system, and a potential eco-toxic effects probe are summarized as well. Especially, some integrated ranking methods based on a bioassay battery involving multiple toxicity effects are recommended as useful tools for evaluating the safety of reclaimed water, which will benefit the promotion and guarantee the rapid development of the reclamation and reuse of wastewater.     

Dynamic nano-Ag colloids cytotoxicity to and accumulation by Escherichia coli: Effects of Fe3+, ionic strength and humic acid

Released Ag ions or/and Ag particles are believed to contribute to the cytotoxicity of Ag nanomaterials, and thus, the cytotoxicity and mechanism of Ag nanomaterials should be dynamic in water due to unfixed Ag particle:Ag⁺ ratios. Our recent research found that the cytotoxicity of PVP-Ag nanoparticles is attributable to Ag particles alone in 3 hr bioassays, and shifts to both Ag particles and released Ag⁺ in 48 hr bioassays. Herein, as a continued study, the cytotoxicity and accumulation of 50 and 100 nm Ag colloids in Escherichia coli were determined dynamically. The cytotoxicity and mechanisms of nano-Ag colloids are dynamic throughout exposure and are derived from both Ag ions and particles. Ag accumulation by E. coli is derived mainly from extracellular Ag particles during the initial 12 hr of exposure, and thereafter mainly from intracellular Ag ions. Fe³⁺ accelerates the oxidative dissolution of nano-Ag colloids, which results in decreasing amounts of Ag particles and particle-related toxicity. Na⁺ stabilizes nano-Ag colloids, thereby decreasing the bioavailability of Ag particles and particle-related toxicity. Humic acid (HA) binds Ag⁺ to form Ag⁺-HA, decreasing ion-related toxicity and binding to the E. coli surface, decreasing particle-related toxicity. HA in complex conditions showed a stronger relative contribution to toxicity and accumulation than Na⁺ or Fe³⁺. The results highlighted the cytotoxicity and mechanism of nano-Ag colloids are dynamic and affected by environmental factors, and therefore exposure duration and water chemistry should be seriously considered in environmental and health risk assessments.     

Revealing the changes of bacterial community from water source to consumers tap: A full-scale investigation in eastern city of China

This study profiled the bacterial community variations of water from four water treatment systems, including coagulation, sedimentation, sand filtration, ozonation-biological activated carbon filtration (O₃-BAC), disinfection, and the tap water after the distribution process in eastern China. The results showed that different water treatment processes affected the bacterial community structure in different ways. The traditional treatment processes, including coagulation, sedimentation and sand filtration, reduced the total bacterial count, while they had little effect on the bacterial community structure in the treated water (before disinfection). Compared to the traditional treatment process, O₃-BAC reduced the relative abundance of Sphingomonas in the finished water. In addition, ozonation may play a role in reducing the relative abundance of Mycobacterium. NaClO and ClO₂ had different effects on the bacterial community in the finished water. The relative abundance of some bacteria (e.g. Flavobacterium, Phreatobacter and Porphyrobacter) increased in the finished water after ClO₂ disinfection. The relative abundance of Mycobacterium and Legionella, which have been widely reported as waterborne opportunistic pathogens, increased after NaClO disinfection. In addition, some microorganisms proliferated and grew in the distribution system, which could lead to turbidity increases in the tap water. Compared to those in the finished water, the relative abundance of Sphingomonas, Hyphomicrobium, Phreatobacter, Rheinheimera, Pseudomonas and Acinetobacter increased in the tap water disinfected with NaClO, while the relative abundance of Mycobacterium increased in the tap water disinfected with ClO₂. Overall, this study provided the detailed variation in the bacterial community in the drinking water system.     

An investigation of changes in water quality throughout the drinking water production/distribution chain using toxicological and fluorescence analyses

Changes in water quality from source water to finished water and tap water at two conventional drinking water treatment plants(DWTPs) were monitored.Beside the routine water quality testing,Caenorhabditis elegans-based toxicity assays and the fluorescence excitation–emission matrices technique were also applied.Both DWTPs supplied drinking water that met government standards.Under current test conditions,both the investigated finished water and tap water samples exhibited stronger lethal,genotoxic and reprotoxic potential than the relative source water sample,and the tap water sample was more lethal but tended to be less genotoxic than the corresponding finished water sample.Meanwhile,the nearly complete removal of tryptophan-like substances and newly generated tyrosine-like substances were observed after the treatment of drinking water,and humic-like substances were identified in the tap water.Based on these findings,toxic pollutants,including genotoxic/reproductive toxicants,are produced in the drinking water treatment and/or distribution processes.Moreover,further studies are needed to clarify the potentially important roles of tyrosine-like and humic-like substances in mediating drinking water toxicity and to identify the potential sources of these contaminants.Additionally,tryptophan-like fluorescence may be adopted as a useful parameter to monitor the treatment performance of DWTPs.Our observations provided insights into the importance of utilizing biotoxicity assays and fluorescence spectroscopy as tools to complement the routine evaluation of drinking water.     

Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts

Based on density functional theory (DFT) and basic structure models, the chemical reactions on the surface of vanadium-titanium based selective catalytic reduction (SCR) denitrification catalysts were summarized. Reasonable structural models (non-periodic and periodic structural models) are the basis of density functional calculations. A periodic structure model was more appropriate to represent the catalyst surface, and its theoretical calculation results were more comparable with the experimental results than a non-periodic model. It is generally believed that the SCR mechanism where NH₃ and NO react to produce N₂ and H₂O follows an Eley-Rideal type mechanism. NH₂NO was found to be an important intermediate in the SCR reaction, with multiple production routes. Simultaneously, the effects of H₂O, SO₂ and metal on SCR catalysts were also summarized.     

Recent advances in catalytic decomposition of ozone

Ozone (O₃), as a harmful air pollutant, has been of wide concern. Safe, efficient, and economical O₃ removal methods urgently need to be developed. Catalytic decomposition is the most promising method for O₃ removal, especially at room temperature or even subzero temperatures. Great efforts have been made to develop high-efficiency catalysts for O₃ decomposition that can operate at low temperatures, high space velocity and high humidity. First, this review describes the general reaction mechanism of O₃ decomposition on noble metal and transition metal oxide catalysts. Then, progress on the O₃ decomposition performance of various catalysts in the past 30 years is summarized in detail. The main focus is the O₃ decomposition performance of manganese oxides, which are divided into supported manganese oxides and non-supported manganese oxides. Methods to improve the activity, stability, and humidity resistance of manganese oxide catalysts for O₃ decomposition are also summarized. The deactivation mechanisms of manganese oxides under dry and humid conditions are discussed. The O₃ decomposition performance of monolithic catalysts is also summarized from the perspective of industrial applications. Finally, the future development directions and prospects of O₃ catalytic decomposition technology are put forward.     

Effects of calcination temperature on physicochemical property and activity of CuSO4/TiO2 ammonia-selective catalytic reduction catalysts

CuSO_4/TiO_2 catalysts with high catalytic activity and excellent resistant to SO_2 and H_2 O,were thought to be promising catalysts used in Selective catalytic reduction of nitrogen oxides by NH_3.The performance of catalysts is largely affected by calcination temperature.Here,effects of calcination temperature on physicochemical property and catalytic activity of CuSO_4/TiO_2 catalysts were investigated in depth.Catalyst samples calcined at different temperatures were prepared first and then physicochemical properties of the catalyst were characterized by N2 adsorption-desorption,X-ray diffraction,thermogravimetric analysis,Raman spectra,Fourier-transform infrared spectroscopy,X-ray photoelectron spectroscopy,temperature-pro grammed desorption of NH_3,temperature-programmed reduction of H_2 and in situ diffuse reflectance infrared Fourier transform spectroscopy.Results revealed that high calcination temperature had three main effects on the catalyst.First,sintering and anatase transform into rutile with increase of calcination temperature,causing a decrement of specific surface area.Second,decomposition of CuSO_4 under higher calcination temperature,resulting in disappears of Br(?)nsted acid sites(S-OH),which had an adverse effect on surface acidity.Third,CuO from the decomposition of CuSO_4 changed surface reducibility of the catalyst and favored the process of NH_3 oxidation to nitrogen oxides(NO_x).Thus,catalytic activity of the catalyst calcined under high temperatures(≥600℃) decreased largely.     

厦门市冬季PM2.5污染情境识别及其与气象条件的关系

为研究厦门市冬季不同PM_2.5污染情境与气象条件和气团轨迹路径特征的关系,结合PM_2.5观测数据,使用AGAGE（Advanced Global Atmospheric Gases Experiment）统计方法识别2014—2018年冬季厦门市PM_2.5观测值、基线值和污染值情境,通过气象数据统计和气团后向轨迹聚类对不同PM_2.5污染情境下气象条件和气团轨迹路径特征进行探究.结果表明:①厦门市冬季不同PM_2.5污染情境下,ρ（PM_2.5）及PM_2.5污染值情境时长占比均呈波动中下降的趋势,具体表现为冬季PM_2.5观测值、污染值和基线值情境下,ρ（PM_2.5）平均值分别从2014年的42.2、90.7、16.4 μg/m3降至2018年的26.3、56.9、8.8 μg/m3,冬季PM_2.5污染值情境时长占比从2014年的10.2%降至2018年的3.0%.②冬季PM_2.5污染值情境下气象要素呈低风速、低气压、高温度、高相对湿度的特征.③冬季到达厦门市的气团轨迹路径中,局地路径由于大气条件稳定易累积形成PM_2.5污染;偏北路径和西北路径易从临近省份携带污染物输入导致PM_2.5污染,属于重要的外源污染输入路径;沿海路径和偏西路径均属于清洁路径,但沿海路径易在福建省北部与偏北路径重合形成污染输入,加强了偏北路径的污染物输送能力.研究显示,近年来厦门市冬季PM_2.5污染有明显减弱趋势,但不利的气象条件和外来污染输入仍会造成PM_2.5污染的发生.      

油气田在役管道高后果区识别与完整性评价方法

根据油气管道建设与管理的相关标准与规范或导则,针对目前油气田在役管道,明确了其高后果区识别的划分及其在不同标准中的差异以及识别的原则和时间间隔,分别介绍了在管道的相关数据采集的基础上开展地质灾害和第三方破坏造成的管道风险评价方法,管道内外腐蚀的直接评价以及包括剩余强度、剩余寿命和材料在内的管道适用性评价方法,同时给出了这些评价工作所涉及到的相关内容项,对油田管道的完整性管理具有重要的指导作用和应用价值。