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.     

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.     

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.     

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.     

水力空化-酸化调理增强污泥脱水性能分析

研究了水力空化-酸化调理作用于污泥脱水的机理。以污泥比阻（specific resistance to filtration,SRF）、污泥含水率和污泥毛细吸水时间（capillary sunction time,CST）作为主要的评价指标,测定污泥胞外聚合物（extracellular polymeric substances,EPS）中多糖、蛋白含量并进行了污泥酸化程度、污泥电子显微图像分析。结果表明:经水力空化-酸化调理污泥,污泥含水率和SRF分别从83.1%和5.12×1011 m/kg下降到69.8%和2.41×1011 m/kg,CST由50 s下降至20.8 s,各EPS组分含量下降明显,酸化作用通过影响污泥的溶解型胞外聚合物（S-EPS）和松散结合型胞外聚合物（LB-EPS）中的多糖及蛋白含量改变污泥的脱水性,pH=3时污泥脱水效果最好。综上所述,水力空化-酸化调理能大大增强污泥的脱水性能,在实际工程中具有很大的应用价值。     

日本城市有机废弃物甲烷发酵资源化系统案例分析及最新研究进展

为建设可持续发展社会,日本近年来大力推动甲烷发酵以实现城市有机废弃物的减量化和资源化。首先介绍了日本城市有机废弃物资源化的2个实用案例,长冈市厨余垃圾沼气发电中心和丰桥市生物质资源利用中心的设计和运营状况。两者的长期稳定运行及产能效果验证了甲烷发酵技术在城市有机废弃物减量化和资源化上的可行性。其次,为了应对社会发展趋势和城市有机废弃物处理的技术需求,介绍了日本有关厨余垃圾、污泥以及废纸（城市有机废弃物的3大组分）的单独发酵及共发酵的部分研究成果。此外,简要介绍了应用厌氧膜生物反应器（AnMBR）进行相关高效甲烷发酵的最新研究成果。并根据实用案例调查和实验研究结果,以100万人口城市为例,对城市有机废弃物的各种甲烷发酵系统的产能效果进行了模拟概算。     

生物炭吸附水中磷酸盐的研究进展

生物炭作为1种环境友好型吸附材料,可有效去除并回收水体中的磷,由此也成为当前的研究热点之一。综述了目前国内外生物炭吸附磷酸盐及磷素回收研究现状,主要总结了控制生物炭吸附磷酸盐的4种主要机制,阐述了影响生物炭吸附除磷过程中的主要影响因素,介绍了目前应用研究的方向并提出生物炭在实际应用中所面临的问题并对未来研究方向进行了展望,以期为未来研究及推广应用提供理论支撑。     

2-丁烯醛生产废水的臭氧脱毒预处理

CMW（crotonaldehyde manufacturing wastewater,2-丁烯醛生产废水）污染物浓度高、毒性强、直接采用生物法处理难度大.为了降低CMW的生物处理毒性,采用臭氧氧化法对CMW进行脱毒预处理,并通过考察不同臭氧氧化条件对废水COD_Cr、TOC（总有机碳）、UV_{254 nm}去除率及SMA（specific methanogenic activity,比产甲烷活性）抑制率的影响,获得了优化的臭氧氧化条件,进一步分析了废水脱毒机理.结果表明:①优化的臭氧氧化条件为接触反应时间180 min、初始pH 3.0、反应温度35℃、气相臭氧浓度30.3 mg/L,进气流量500 mL/min;并且在该条件下,CMW中COD_Cr、TOC和UV_{254 nm}的去除率分别为19.9%、9.9%和70.6%,主要特征有机污染物[包括2-丁烯醛、（E,E）-2,4-己二烯醛、3-（2-甲基-2-丙烯）-5-戊内酯、1,5-二甲基-1-烯-4-羰基-环氧己烷、山梨酸乙酯等]的去除率在74.4%以上.②厌氧产甲烷毒性试验结果显示,CMW的SMA抑制率由臭氧氧化前的82.0%降至臭氧氧化后的47.2%.③反应动力学研究显示,CMW中COD_Cr、TOC及UV_{254 nm}的去除过程均符合一级反应动力学方程,R2分别为0.82、0.97、0.94.研究显示,臭氧氧化预处理可以较好地去除CMW中的特征有机污染物,降低废水的厌氧生物处理毒性,是一种可行的脱毒预处理方法.      

典型脱硫工艺对燃煤锅炉烟气颗粒物的影响

脱硫是燃煤锅炉的重要除污环节,为探究脱硫工艺对烟气颗粒物的影响,选取4台不同脱硫工艺（石灰石/石膏法、炉内喷钙法、氨法和双碱法）的燃煤锅炉,利用再悬浮采样法和稀释通道采样法分别采集脱硫前后烟气颗粒物样品,并测定颗粒物中的水溶性离子、无机元素和碳组分.结果表明,脱硫剂对烟气PM_2.5的组分构成产生影响,烟气经过石灰石/石膏法脱硫后,PM_2.5中的Ca由5.1%提高至24.8%;经过氨法脱硫后,PM_2.5中NH₄⁺的质量分数由0.8%提高到7.3%;双碱法脱硫则使烟气PM_2.5中Na由0.9%提高到1.7%.湿法和干法脱硫工艺的作用显著不同,湿法脱硫排放颗粒物的离子含量较高,经过石灰石/石膏法和氨法脱硫,PM_2.5中SO₄^2-的质量分数分别由2.0%和6.7%提高到9.6%和11.9%,Cl^-分别由0.4%和1.2%提高到3.8%和5.2%,而Cr、Pb、Cu、Ti和Mn等重金属经过湿法脱硫出现含量下降;相对湿法脱硫,干法脱硫燃煤锅炉排放的PM_2.5中富含Al、Si和Fe等地壳元素.湿法脱硫同样对碳组分产生影响,石灰石/石膏法和氨法脱硫后,烟气PM_2.5的元素碳EC质量分数分别从6.1%降至0.9%和从3.6%降至0.7%,但是有机碳OC的含量并没有下降.     

三亚河红树林表层沉积物中好氧氨氧化微生物的分布特征及潜在硝化速率

氨氧化过程是硝化作用的限速步骤,氨氧化细菌(ammonia-oxidizing bacteria, AOB)和氨氧化古菌(ammonia-oxidizing archaea, AOA)是氨氧化作用的主要驱动者,其分布特征及其对硝化作用的相对贡献是氮素循环的研究热点.采用实时荧光定量PCR技术研究了三亚河红树林表层沉积物中好氧氨氧化微生物的分布特征,并通过测定潜在硝化速率分析了AOB和AOA对硝化作用的相对贡献率.结果表明,多数采样点中,AOA amoA基因丰度高于AOB amoA基因丰度; AOB丰度冬季较高,AOA丰度夏季较高,且冬季AOA和AOB丰度的比值较低;溶解氧、pH、总有机碳和硝态氮对AOB和AOA丰度影响较大; AOB和AOA在夏季的潜在硝化速率均高于冬季,冬季AOA对硝化作用的相对贡献率较高而夏季则是AOB在硝化作用中占主导地位,AOB和AOA的潜在硝化速率与amoA基因丰度均不存在显著相关性.