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.     

武当山夏季颗粒物数浓度谱分布特征及气团来源影响研究

为研究大气边界层中上层大气颗粒物的数浓度谱分布特征及气团来源的影响,于2018年6月利用3080型SMPS粒径谱仪对武当山14.6~660 nm颗粒物数浓度谱进行观测,分析和探讨了其数浓度谱分布及日变化特征,并结合后向轨迹、潜在源贡献因子法（PSCF）与浓度权重轨迹分析法（CWT）探讨对武当山颗粒物数浓度影响较大的外源输送路径和贡献源区.结果表明:①武当山大气颗粒物主要以爱根模态为主,平均数浓度为2 500个/cm3,积聚模态、核膜态平均数浓度分别为2 265、359个/cm3,3种模态数浓度分别占总数浓度的48.79%、44.21%、7.01%.②在新粒子生成日,核膜态数浓度于10:00开始上升,11:00—17:00的核膜态数浓度相对较高,约2 000个/cm3.新粒子生成日ρ（SO₂）与ρ（O₃）的日变化趋势均与核模态数浓度较为相似,表明SO₂和O₃参与光化学反应后的产物（硫酸及有机物）有利于新粒子的生成与增长.新粒子生成日风速、温度均大于非新粒子生成日,但相对湿度较低.③在东部及局地气团影响下大气颗粒物主要以积聚模态为主,数浓度分别为2 311和2 596个/cm3;核模态、爱根模态数浓度在受西北气团影响时最大,数浓度分别为806和3 078个/cm3.④潜在源区分析表明,影响武当山积聚模态数浓度的主要源区为十堰市本地及襄阳市,二者贡献值在840个/cm3以上.研究显示,武当山颗粒物主要以爱根模态为主,颗粒物数浓度日变化主要受大气边界层发展及山谷风的影响,较高的ρ（SO₂）与ρ（O₃）以及高温、低湿及较大的风速均有利于新粒子的生成,周边城市的区域性传输对武当山颗粒物的影响较大.      

Determination of Trace Organochlorinated Pesticides and Polychlorinated Biphenyls in Water

A modified steam distillation liquid-liquid extraction (SDE) device is developed for the enrichment of trace organochlorinated pesticides (OCPs) and polychlorinated biphenyls (PCBs) in up to one litre of water samples. One ml of n-hexane is sufficient to extract the analytes. The extract can be analysed directly by a capillary gas chromatography-electron capture detector. The recoveries range from 84.6 to 102.3% for OCPs and 80.5 to 106.2% for PCBs, respectively. Matrice materials such as lipids and humic substances were removed by the SDE method from the extract and no further cleanup and concentration steps were needed.     

超声波－蒸汽蒸馏萃取技术富集沉积物样品中的氯代农药和多氯联苯

为方便快速分离沉积物中含氯农药和多氯联苯，将超声波技术和蒸汽蒸馏萃取技术相结合，萃取沉积物中的微量含氯农药和多氯联苯，所得萃取物不需进一步的净化和浓缩，可直接用于色谱分析．实验表明，在进行蒸汽蒸馏萃取之前，使用辅助的超声波技术可将大部分待测物的回收率提高２０％－３０％，较好地解决了由于沉积物的吸附作用而导致的蒸汽蒸馏萃取回收率偏低的缺陷．该法使沉积物样品中的氯代农药和多氯联苯的蒸汽蒸馏萃取富集成为可能．     

布、洛、维、肖氏硬度的相关关系

进行了布、洛、维、肖氏硬度之间的回归分析,建立了洛氏硬度与布氏、维氏、肖氏硬度之间,以及布氏硬度与维氏、肖氏硬度之间的回归关系式.     

Method of pollution sources assessment in relation to residential site selection

Much investigation supports a high incidence of disease and death rates when people live in ambient polluted air for a long time. Thus, the location of residential sites is important from a public health viewpoint. The method outlined in this paper is useful for determining the location of residential sites based on pollution sources assessment.     

加强城市灾害应急管理能力建设确保城市的可持续发展

本文通过对我国城市化与经济发展的关系,分析了我国城市面临的灾害形势及城市应急管理中存在的问题,提出了加强城市应急能力建设的途径,可供国内各大中城市参考和借鉴.     

前车之鉴--访美国环保协会首席经济学家杜丹德先生

上世纪六七十年代，美国发生过不少环境重大事故，有的造成了较大的人员伤亡，有的还是发生在国外。但如今，美国在应对环境危机的各个方面，如立法、机构、人员培训、行政程序、信息披露等方面都走在了世界的前面。那么，过去的几十年，美国又是走过了一条什么样的路程？他们遇到了怎样的困境？社会对此又有什么反应？近日，我刊对美国环保协会中国项目首席经济学家杜丹德（Daniel J．Dudek）博士进行了采访。[编者按]     

腕足类生物壳体在沉积、成岩过程中同位素平衡问题研究

综合分析了现代腕足类生物壳体方解石中的C、O同位素特征，以及有关古生代腕足类生物壳体方解石构造和地球化学研究成果，分析结果证明：只有那些无发光性特点、无胶结和溶蚀构造特点、有较好纤维构造特点、含高Sr、Na和低Mn、Fe（Mg）的第二层腕足类生物壳体方解石的δ18O值不受成岩作用影响；而原始层和壳体中的特殊部位如铰合轴、腕骨、茎孔、交互面、肌痕等在沉积、成岩过程中与海水处于非同位素平衡状态。