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.     

On-going nitrification in chloraminated drinking water distribution system (DWDS) is conditioned by hydraulics and disinfection strategies

Within the drinking water distribution system (DWDS) using chloramine as disinfectant, nitrification caused by nitrifying bacteria is increasingly becoming a concern as it poses a great challenge for maintaining water quality. To investigate efficient control strategies, operational conditions including hydraulic regimes and disinfectant scenarios were controlled within a flow cell experimental facility. Two test phases were conducted to investigate the effects on the extent of nitrification of three flow rates (Q = 2, 6, and 10 L/min) and four disinfection scenarios (total Cl₂=1 mg/L, Cl₂/NH₃-N=3:1; total Cl₂=1 mg/L, Cl₂/NH₃-N=5:1; total Cl₂=5 mg/L, Cl₂/NH₃-N=3:1; and total Cl₂=5 mg/L, Cl₂/NH₃-N=5:1). Physico-chemical parameters and nitrification indicators were monitored during the tests. The characteristics of biofilm extracellular polymetric substance (EPS) were evaluated after the experiment. The main results from the study indicate that nitrification is affected by hydraulic conditions and the process tends to be severe when the fluid flow transforms from laminar to turbulent (2300<Re<4000). Increasing disinfectant concentration and optimizing Cl₂/NH₃-N mass ratio were found to inhibit nitrification to some extend when the system was running at turbulent condition (Q = 10 L/min, Re = 5535). EPS extracted from biofilm that was established at the flow rate of 6 L/min had greater carbohydrate/protein ratio. Furthermore, several nitrification indicators were evaluated for their prediction efficiency and the results suggest that the change of nitrite, together with total organic carbon (TOC) and turbidity can indicate nitrification potential efficiently.     

Metabolomic modulations in a freshwater microbial community exposed to the fungicide azoxystrobin

An effective broad-spectrum fungicide, azoxystrobin (AZ), has been widely detected in aquatic ecosystems, potentially affecting the growth of aquatic microorganisms. In the present study, the eukaryotic alga Monoraphidium sp. and the cyanobacterium Pseudanabaena sp. were exposed to AZ for 7 days. Our results showed that 0.2–0.5 mg/L concentrations of AZ slightly inhibited the growth of Monoraphidium sp. but stimulated Pseudanabaena sp. growth. Meanwhile, AZ treatment effectively increased the secretion of total organic carbon (TOC) in the culture media of the two species, and this phenomenon was also found in a freshwater microcosm experiment (containing the natural microbial community). We attempted to assess the effect of AZ on the function of aquatic microbial communities through metabolomic analysis and further explore the potential risks of this compound. The metabonomic profiles of the microcosm indicated that the most varied metabolites after AZ treatment were related to the citrate cycle (TCA), fatty acid biosynthesis and purine metabolism. We thereby inferred that the microbial community increased extracellular secretions by adjusting metabolic pathways, which might be a stress response to reduce AZ toxicity. Our results provide an important theoretical basis for further study of fungicide stress responses in aquatic microcosm microbial communities, as well as a good start for further explorations of AZ detoxification mechanisms, which will be valuable for the evaluation of AZ environmental risk.     

Analytical methods and environmental processes of nanoplastics

The degradation of plastic debris may result in the generation of nanoplastics (NPs). Their high specific surface area for the sorption of organic pollutions and toxic heavy metals and possible transfer between organisms at different nutrient levels make the study of NPs an urgent priority. However, there is very limited understanding on the occurrence, distribution, abundant, and fate of NPs in the environment, partially due to the lack of suitable techniques for the separation and identification of NPs from complex environmental matrices. In this review, we first overviewed the state-of-the-art methods for the extraction, separation, identification and quantification of NPs in the environment. Some of them have been successfully applied for the field determination of NPs, while some are borrowed from the detection of microplastics or engineered nanomaterials. Then the possible fate and transport of NPs in the environment are thoroughly described. Although great efforts have been made during the recent years, large knowledge gaps still exist, such as the relatively high detection limit of existing method failing to detect ultralow masses of NPs in the environment, and spherical polystyrene NP models failing to represent the various compositions of NPs with different irregular shapes, which needs further investigation.     

长江流域2000—2015年生态系统质量及服务变化特征

分析生态系统质量与服务现状及变化特征,有助于准确了解流域生态系统状况与趋势,为流域生态保护与修复的高效管理提供参考依据.采用相对生物量密度与相对植被覆盖度指数以及生态系统服务（土壤保持、防风固沙、洪水调蓄、粮食生产）评估模型,评估2000—2015年长江流域生态系统质量及服务变化特征.结果表明:①2000—2015年,长江流域森林、灌丛以及草地生态系统质量提升显著,56.56%的森林、45.65%的灌丛以及19.26%的草地生态系统质量得到不同程度的提高.②研究期间,长江流域粮食生产、洪水调蓄、土壤保持、防风固沙均呈显著上升趋势,其中粮食生产能力增加13.7%,洪水调蓄功能提升10.1%,土壤保持服务提高19.5%,防风固沙总量增加30.0%.③长江流域生态系统质量不高,处于低与差质量等级的生态系统面积比例在25%~35%之间;受不同类型的自然和人类活动影响,长江流域生态系统质量与服务均存在局部退化现象.研究显示,在生态质量与服务评估的基础上,分区域、分类型实施不同的生态系统保护与恢复途径,是今后长江流域加强生态系统管理的重要途径.      

基于PCA-SOM的北京市平谷区地下水污染溯源

为了解北京市平谷区地下水污染物来源,以平谷区2010—2018年监测数据为基础,使用PCA(主成分分析法)识别了地下水水质指标因子,使用自组织映射识别了污染物的空间分布.结果表明:通过监测指标间的Pearson检验发现, 平谷区地下水电导率与ρ(Ca2+)(p=0.936)、总碱度与ρ(HCO₃2-)(p=0.981)、ρ(Mg2+)与总硬度(p=0.944)指标之间显著相关.地下水化学类型主要以HCO₃-Ca型为主,其次为HCO₃-Mg型.NH₄+、SO₄2-、Cd、Fe(Ⅱ)、NO₂指标空间分布离散性和差异性较大,存在局部富集现象.通过因子分析法筛选出影响平谷区地下水水质的8个公因子,首要影响因子为溶滤-富集作用(贡献率为22.398%),次要影响因子为农业、养殖业和填埋场等人为活动作用(贡献率为16.533%),雨水下渗作用(贡献率为8.035%)、工业源人为活动(贡献率为7.466%)对地下水也有一定影响.通过比较各指标的SOM(Self-Organizing Map,自组织映射)特征图像和监测井映射特征图像,发现NH₄+受山前地带林业、种植业和平原地带农业、养殖业的双重影响,Na+、Mn受平原地带人为活动的影响;同时,NH₄+、NO₃-、NO₂三者之间及Fe(Ⅱ)与Fe(Ⅲ)之间来源不同,Cd、Al、氰化物三者具有同一来源.研究显示,PCA-SOM(PCA与SOM相结合)可以对地下水化学组分来源进行定性识别与定量分析.      

UASB启动运行特征及互营丙酸氧化菌定量分析

为揭示升流式厌氧污泥床（UASB）反应器启动运行效能与互营丙酸降解菌群数量之间的关系,以稀释的玉米淀粉生产废水为底物,考察了UASB启动期的运行特征,并采用实时荧光定量PCR技术（qPCR）分析了互营丙酸降解菌群（丙酸氧化菌和产甲烷菌）的演替规律.结果表明,在进水COD 2000mg/L和水力停留时间（HRT）24h条件下,经过38d的连续运行,COD去除率达到了91.9%.当HRT分阶段缩短至8h时,比产甲烷速率达到了315LCH₄/（kg COD·d）,且形成了沉降性能良好的颗粒污泥.qPCR检测结果表明,至少有5种已鉴定的丙酸氧化菌存在于UASB反应器中.Pelotomaculum propionicum为接种污泥中的主要丙酸氧化菌,约占检测到丙酸氧化菌总数的45.7%.它的数量随着HRT缩短不断减少.而Syntrophobacter sulfatireducens和S.wolinii的数量随着HRT缩短不断增加,并在启动完成时达到最大值,分别为1.3×10³,5.5×10³个16S rRNA基因拷贝数/ng DNA,演替成为成熟颗粒污泥中的优势丙酸氧化菌群.Methanobacterium和Methanosarcina为接种污泥中的主要氢营养型产甲烷菌和乙酸营养型产甲烷菌,其数量随着HRT的缩短而逐渐减少,而Methanospirillum和Methanosaeta的数量随HRT的缩短逐渐增加,成为成熟颗粒污泥中的优势产甲烷菌群.     

三江源植被碳利用率动态变化及其对气候响应

本文基于MODIS GPP/NPP数据估算了三江源植被碳利用率（CUE）,结合气象数据和高程数据采用一元线性回归和相关分析法,探讨了2001~2017年三江源植被CUE的时空变化特征及植被CUE对气温、降水量和蒸散量变化的响应.结果表明：（1）三江源植被CUE年内3~10月表现为先增加后降低的变化趋势,其中6月植被CUE最高.（2）三江源年植被碳利用率位于0.73~1,平均水平为0.85;植被CUE空间上呈现北高南低,西高东低的分布特征.（3）整体上,三江源4~10月植被碳利用率与同期气温、降水量和蒸散量分别呈现正相关、负相关和负相关关系,降水量是影响三江源植被CUE变化的主要影响因素,气温为次要因素,蒸散量影响程度最小.     

成都市施工扬尘排放特征研究

采用DustTRAK TM气溶胶（粉尘）监测仪对成都市112个不同类别的房建、市政工地施工扬尘进行测试,研究了不同类别施工扬尘的排放特征,分析了下风向扬尘浓度的变化趋势,并采用CALPUFF对成都市新都区某建筑工地的排放进行了模拟.结果表明：（1）成都市施工扬尘排放浓度约为0.13~2.91mg/m³,其中房建类施工平均浓度约为0.94mg/m³,高于市政施工;大型工地扬尘平均浓度约为0.61mg/m³,低于中型和小型工地;土方施工阶段平均浓度约为1.21mg/m³,远高于地基建设、主体建设、装饰阶段.（2）成都市施工扬尘呈现出高低浓度交替的周期性变化,其中房建工程土方施工阶段的高低浓度差值可达到0.6mg/m³以上.（3）施工扬尘在场界外下风向5~15m范围内会出现浓度增加的趋势,随后逐渐下降,在50m附近逐渐趋于稳定,稳定浓度介于0.1~0.2mg/m³.（4）CALPUFF模型能较好地从宏观角度来模拟成都地区施工扬尘的扩散趋势,但难以捕捉施工扬尘在下风向近距离的扩散特征.     

基于最大熵模型的福建省红树林潜在适生区评估

本研究利用生物气候、地形、底质类型、海温等环境因子和红树林分布数据建立了福建省红树林分布模型,基于最大熵方法分析了福建省沿岸红树林潜在适生区的空间分布.根据模型输出结果对福建省红树林的生境适宜性进行了评估,识别了影响红树林分布的关键环境因子及其适生值区间,并通过空间叠加分析获取了福建省红树林保护与修复的优先区与空缺区域.结果表明,影响福建省红树林适生区分布格局的主要环境因子包括海表温度、气温和降水等,福建省红树林潜在适生区主要位于沙埕港-三沙湾-兴化湾沿岸、泉州湾-厦门湾-九龙江口沿岸、漳江口-东山湾沿岸等地,其中最优适生区面积约为91km².全省共识别出8处红树林保护与修复的优先区域,现存红树林保护率约为64.4%,保护修复空缺主要出现在沙埕港、三沙湾、罗源湾、福清湾等处,研究结论可为未来福建省红树林保护和修复行动提供科学参考.