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.     

Ozone pollution characteristics and sensitivity analysis using an observation-based model in Nanjing, Yangtze River Delta Region of China

Ground-level ozone (O₃) has become a critical pollutant impeding air quality improvement in Yangtze River Delta region of China. In this study, we present O₃ pollution characteristics based on one-year online measurements during 2016 at an urban site in Nanjing, Jiangsu Province. Then, the sensitivity of O₃ to its precursors during 2 O₃ pollution episodes in August was analyzed using a box model based on observation (OBM). The relative incremental reactivity (RIR) of hydrocarbons was larger than other precursors, suggesting that hydrocarbons played the dominant role in O₃ formation. The RIR values for NO_X ranged from –0.41%/% to 0.19%/%. The O₃ sensitivity was also analyzed based on relationship of simulated O₃ production rates with reductions of VOC and NO_X derived from scenario analyses. Simulation results illustrate that O₃ formation was between VOCs-limited and transition regime. Xylenes and light alkenes were found to be key species in O₃ formation according to RIR values, and their sources were determined using the Positive Matrix Factorization (PMF) model. Paints and solvent use was the largest contributor to xylenes (54%), while petrochemical industry was the most important source to propene (82%). Discussions on VOCs and NO_X reduction schemes suggest that the 5% O₃ control goal can be achieved by reducing VOCs by 20%. To obtain 10% O₃ control goal, VOCs need to be reduced by 30% with VOCs/NO_X larger than 3:1.     

基于边介数的省域生态廊道构建方法优化

我国城市建设和生态保护工作均对土地资源有大量需求,二者之间的矛盾在经济优先发展区表现尤为明显.为了有效地改善生态环境,管控土地利用并引导其变化发展,需要建设具备不可替代特征的省域生态廊道.最小累积阻力模型（minimum cumulative resistance,MCR）是识别生态廊道最常用、有效的模型,但在应用于省域尺度时,MCR模型识别的潜在廊道路由存在冗余的问题.因此,通过引入网络科学中的边介数指数（edge-betweenness）对MCR模型进行优化,计算潜在廊道路由的边介数指数值,选取出其中最为重要和简明的结构来连通生态源地,即提取潜在路由中的骨干路由（backbone route）和关键战略点（key strategic point）作为不可替代的结构来指导省域生态廊道建设.将优化后的MCR模型应用于广东省,构建了全长5 493 km的省域生态廊道,其中包含生态源地20处,关键战略点11个,骨干生态廊道29条.骨干路由与关键战略点构成的不可替代省域生态廊道（irreplaceable provincial corridor）能够实现"廊道数量和占地面积最少、连通性基本不变"的目标.研究显示,边介数能够对潜在路由进行优化筛选,识别出维护省域生态安全的关键结构;不可替代生态廊道能够指导省域生态规划和土地空间的发展利用,并为更高水平的生态安全环境提供了演进的基础;同时也为土地资源紧张的地区提供了建设生态廊道的参考与依据.      

Chemical characteristics of road dust PM2.5 fraction in oasis cities at the margin of Tarim Basin

In order to understand the compositions characteristics of particulate matter with aerodynamic diameter less than 2.5 μm (PM_2.5) fraction in road dust (RD_2.5) of oasis cities on the edge of Tarim Basin, 30 road dust (RD) samples were collected in Kashi, Cele, and Yutian in the spring, 2018, and RD_2.5 was collected using the resuspension approach. Eight water-soluble ions, 39 trace elements and 8 fractions of carbon-containing species in PM_2.5 were analyzed. Ca²⁺ and Ca were the most abundant ions and elements in RD_2.5 (7.1% and 9.5%). Cl^- in RD_2.5 was affected not only by attributed to saline-alkali soils in oasis cities of the Tarim Basin and dust from Taklimakan Desert but also by human activities. Moreover, the organic carbon/elemental carbon (OC/EC) ratio indicated that carbon components in RD_2.5 in Cele town mainly come from fossil fuel combustion, while those in Yutian and Kashi mainly come from biomass combustion. It is noteworthy that high Ca in RD_2.5 was seriously affected by anthropogenic emissions, and high Na and K contents in RD_2.5 could be derived from soil and desert dust. It was estimated that Cd, Tl, Sn and Cr were emitted from anthropogenic emissions using the enrichment factor. The coefficients of divergence (COD) result indicated that the influence of local emission on road dust emission is greater than that of long-distance transmission. This study is the first time to comprehensively analyze the chemical characteristics of road dust in oasis cities, and the results provides the sources of road dust at the margin of Tarim Basin.     

新冠肺炎疫情期间我国居民洗手行为研究

直接接触和飞沫传播等方式是新型冠状病毒传播的主要途径,合理的洗手行为是切断暴露途径和降低病毒感染风险的有效防控措施,对于新型冠状病毒肺炎（COVID-19,简称“新冠肺炎”）疫情的防控具有重要的作用.该研究于2020年2月25日—3月14日,采用电子问卷的方式调查了覆盖我国31个省（自治区、直辖市）1 728个县（区）18岁及以上的居民,收集共计8 330名成人的洗手情形及洗手时长等信息,分析不同暴露情景下的洗手行为及其影响因素.结果表明:女性、城市地区居民在洗手比例和洗手时长上均分别高于男性、农村地区居民.人群在一般暴露情景下的洗手比例较高,而对于病毒感染风险较高的暴露情景（如咳嗽或打喷嚏后、接触他人后等）的洗手率（分别为73.6%和83.9%）排名靠后,说明人群对病毒的传播途径和防护措施有待深入理解;在洗手时间上,根据WHO规定的洗手时长标准（20 s）,仅有41.7%的人群洗手时长合格（大于20 s）,城区居民洗手时长的合格率（42.0%）显著高于农村地区（39.7%）;总体上,具有外出经历的人群洗手比例较未曾外出的人群高,新冠肺炎疫情期间居住地是否存在新冠肺炎疑似和确诊病例显著影响居民的洗手行为,但是疫情最严重的地区居民的洗手时长合格率（37.2%）最低,反而疫情最轻的地区居民的洗手时长合格率（43.6%）最高,说明居民的洗手行为可能受疫情等多方面的影响.研究显示,相比于非疫情期间而言,疫情期间我国居民洗手行为发生率提高,洗手时长合格率提高,但是仍然水平偏低.应提高居民洗手行为意识,科学地执行洗手这一防护措施,相关政策制定以及个人防护应当进一步关注和重视洗手行为的防疫作用.      

闽江河口养虾塘养殖期和非养殖期CO2通量变化特征

为揭示河口区陆基养虾塘从养殖期到非养殖期一年间的CO₂通量变化,以福建省闽江河口鳝鱼滩陆基养虾塘为研究对象,于2016年5月-2017年3月采用悬浮箱/静态箱-气相色谱法对养虾塘养殖期水-大气界面和非养殖期沉积物-大气界面白天CO₂垂直通量进行原位观测.结果表明:①养虾塘在整个研究期间CO₂通量变化范围为-62.87~162.81 mg/（m2·h）,平均值为（42.66±18.12）mg/（m2·h）,总体上表现为大气CO₂的释放源,且呈非养殖期CO₂通量平均值[（78.51±16.61）mg/（m2·h）]显著高于养殖期[（17.98±18.26）mg/（m2·h）]的特征.②养殖期间,养虾塘CO₂通量呈"排放-吸收"交替变化的特征,而非养殖期养虾塘一直是大气CO₂的净排放源.③养虾塘养殖期CO₂通量时间变化特征主要受到ρ（DOC）（DOC为总溶解有机碳）、ρ（SO₄2-）、ρ（Cl-）、盐度、pH、ρ（Chla）（Chla为叶绿素a）的影响,其中,pH和ρ（SO₄2-）是其主要影响因子,而ρ（TDN）（TDN为总溶解氮）、ρ（TDP）（TDP为总溶解磷）、ρ（SO₄2-）对非养殖期CO₂通量时间变化影响较大.研究显示,滨海陆基养殖塘是大气CO₂的重要来源,其排放通量多低于河流、水库等水生生态系统,但高于湖泊生态系统;养殖塘CO₂通量受人为影响明显,其较高的变异性与养殖生物、饲料投放以及浮游藻类有关.      

基于底栖动物的松花江流域不同地形分区水质指标阈值研究

为全面了解松花江流域不同地形分区内底栖动物群落对水质指标的响应规律,识别不同分区水质指标指示物种的差异,于2016—2018年对松花江流域97个采样点的水质指标〔EC、ρ（DO）、ρ（COD_Mn）、ρ（NH₃-N）、ρ（TN）、ρ（TP）〕和大型底栖动物群落进行调查分析,采用临界指示物种分析法（threshold indicator taxa analysis,TITAN）分别探讨松花江流域山区、丘陵区和平原区水质指标的生态阈值,当污染物浓度超过负响应阈值时敏感种密度降低,当超过正响应阈值时耐受种也会受到明显影响,底栖动物群落结构会发生显著变化.将TITAN法所得的负响应阈值作为触发底栖动物群落发生变化的最低值,正响应阈值为底栖动物群落的耐受极限值.结果表明:①松花江流域水质指标在不同地形分区内的阈值不同,除ρ（DO）和ρ（COD_Mn）外,其他指标负响应阈值均表现为山区 < 丘陵区 < 平原区,ρ（DO）则表现相反,ρ（COD_Mn）在丘陵区出现最高阈值（5.46 mg/L）、山区出现最低阈值（4.01 mg/L）.除ρ（DO）以外,其他指标的正响应阈值均呈山区 < 丘陵区 < 平原区的趋势,ρ（DO）正响应阈值的变化趋势则与之相反.②松花江流域内超过50%的采样点水质指标值均超过其负响应阈值,超出正响应阈值的采样点比例在6%~40%之间,说明流域受到一定的干扰,但干扰程度不严重.③同一物种在不同地形分区内对水体理化指标的指示方向可能相反.萝卜螺属在丘陵区为ρ（NH₃-N）的正响应指示物种,在平原区则转变为负响应指示物种;短沟蜷属在丘陵区为ρ（TN）和ρ（TP）的正响应物种,在平原区则转变为负响应物种.研究显示,大型底栖动物群落结构的分布特征是影响水质指标阈值指示物种识别的主要原因,而不同分区的自然地理状况、栖境状况和水质状况则是造成大型底栖动物群落结构分布差异的主要因素.      

长江流域水生态环境安全主要问题、形势与对策

为进一步深化长江流域水生态环境保护的系统性、整体性科学认识,围绕长江水生态环境安全的主要问题及形势进行了剖析,提出了进一步加强长江流域水生态环境安全保障的对策建议.研究表明:在水环境质量方面,磷污染成为制约水质改善的主要影响因素,农业源排放量占比高,但工业源入河对水体的影响更直接,水库群运行带来的水沙条件变化对磷污染沿程演变有明显影响;在水生态健康方面,长江水生生物资源衰退、湖库富营养化格局发生改变、湿地生态功能退化问题突出;在水环境风险方面,化工围江、航运污染风险引起广泛关注.当前长江流域面临着源头区水资源战略储备减少、区域经济发展与生态环境保护双重压力仍较大、水环境质量仍存问题隐患、水生态系统退化态势未得到根本遏制等复杂且严峻的形势,未来长江水生态环境安全保障仍有诸多挑战.建议统筹长江全流域“一盘棋”,推进区域绿色协调发展,强化磷污染点面源综合管控,着力提升水生态健康水平,同时加快水环境风险隐患排查整治,强化科技创新有效供给.      

长江中下游环境DNA宏条形码生物多样性检测技术初步研究

长江生物多样性在人为影响下面临严重威胁,物种监测是生物多样性保护的基础,为完善长江水生态监测体系,实现高效无损伤的物种监测,在长江中下游干流3个江段（新滩、安庆和芜湖）采集水样,建立长江水样环境DNA宏条形码物种检测体系并评估其有效性.结果表明:①长江中下游环境DNA宏条形码检测到32个物种,包括20种鱼类、1种水生哺乳动物（长江江豚）和11种陆生动物,其中鱼类物种包括鲤形目、鲇形目、鲈形目和鲱形目,其种数占鱼类总种数的比例分别为60%、25%、10%和5%.②长江中下游渔获物中资源量居首位的鲤形目在环境DNA调查中序列数最多,占鱼类总序列的96.2%,其次为鲱形目（占比为3.5%）,鲇形目和鲈形目占比较低,分别为0.2%和0.1%,4个类目序列相对丰度与渔获物种资源量组成差异较大.③环境DNA调查次数约占传统渔获物调查次数的几十至几百分之一,采样时间不足努力量最少的渔获物调查的1%,检测到的鱼类种数为传统调查总数的31%~49%.④安庆采样点位于长江中下游长江江豚密度最高的江段,其环境DNA检出率和序列相对丰度在3个采样点中均最高.研究显示:长江水样环境DNA包含水陆复合生态系统的生物多样性信息,利用水样环境DNA宏条形码可检测不同类群的水生和陆生物种;对于鱼类物种检测,环境DNA宏条形码比传统调查方法效率更高,可对传统调查结果进行补充;环境DNA宏条形码生物多样性检测主要受分子标记体系和核酸序列数据库限制,获取全面的物种多样性和资源量信息需要对检测分析方法进行进一步完善.