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.     

Synergistic effects of Cu species and acidity of Cu-ZSM-5 on catalytic performance for selective catalytic oxidation of n-butylamine

In this work, a series of Cu-ZSM-5 catalysts with different SiO₂/Al₂O₃ ratios (25, 50, 100 and 200) were synthesized and investigated in n-butylamine catalytic degradation. The n-butylamine can be completely catalytic degradation at 350°C over all Cu-ZSM-5 catalysts. Moreover, Cu-ZSM-5 (25) exhibited the highest selectivity to N₂, exceeding 90% at 350°C. These samples were investigated in detail by several characterizations to illuminate the dependence of the catalytic performance on redox properties, Cu species, and acidity. The characterization results proved that the redox properties and chemisorption oxygen primarily affect n-butylamine conversion. N₂ selectivity was impacted by the Brønsted acidity and the isolated Cu²⁺ species. Meanwhile, the surface acid sites over Cu-ZSM-5 catalysts could influence the formation of Cu species. Furthermore, in situ diffuse reflectance infrared Fourier transform spectra was adopted to explore the reaction mechanism. The Cu-ZSM-5 catalysts are the most prospective catalysts for nitrogen-containing volatile organic compounds removal, and the results in this study could provide new insights into catalysts design for VOC catalytic oxidation.     

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.     

不同浓度锌处理下水稻幼苗对镉的累积效应

为探究锌（Zn）对水稻镉（Cd）累积的影响及其根表铁膜所发挥的作用,选取Cd高累积型水稻品种中9优547（简称"Z547"）和Cd低累积型水稻品种金优402（简称"J402"）,采用温室水培试验,研究0、2、5、10、15和20 μmol/L等6个Zn浓度下水稻幼苗对Cd的累积效应,以及不同浓度Zn处理对根表铁膜生成量的影响.结果表明:①随着c（Zn）的增加,Z547和J402水稻幼苗生物量均呈先增后减的趋势,分别在c（Zn）为2和10 μmol/L时达到最大值.②Z547和J402水稻幼苗中w（Cd）均呈先降后增的趋势,分别在c（Zn）为5和2 μmol/L时达到最小值;当水稻幼苗中w（Cd）达到最小值时,Z547根和地上部中w（Cd）分别为31.65和11.47 mg/kg,J402根和地上部中w（Cd）分别为22.58和14.36 mg/kg.③不同浓度Zn处理下水稻幼苗各部位中w（Cd）均与根表铁膜中w（Mn）、w（Fe）、w（Fe+Mn）呈显著正相关,高铁膜处理水稻幼苗中w（Cd）显著高于低铁膜处理,表明根表铁膜生成量的增加会促进Cd在水稻幼苗中的累积.研究显示,当c（Zn）较低时,c（Zn）的增加会抑制水稻幼苗对Cd的累积;当c（Zn）较高时,c（Zn）的增加会促进水稻幼苗对Cd的累积,而Zn可通过控制根表铁膜的生成来影响水稻幼苗对Cd的累积.      

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.      

围隔污染场地淋洗修复的注抽水井优化布设研究

为防止污染场地范围的扩大和污染地下水,可以采取工程措施将污染场地四周及下部进行围隔。对于围隔范围内的污染土,可以采用淋洗方法进行修复。以青岛汽轮机有限公司遗留的污染场地为例,利用Visual ModFlow模拟设计了对围隔场地污染淋洗修复的优化的注抽水井的布置及水力条件,通过对9组注抽井组合进行技术经济比较,得到最佳注抽井间距为27 m,最优注抽水量为200~300 m3,布置方式为"一注五抽",并与异位处置方案进行经济对比,表明7000 m3的污染土为2种方案的费用界限,即7000 m3以上的土方考虑淋洗修复,反之则异位处置。     

京津冀城市群二氧化碳排放达峰研究

基于IPCC排放因子方法建立了2015—2019年京津冀城市群地级城市CO₂排放清单,基于经济增长与CO₂排放关系的脱钩系数法,得到京津冀城市群13个地级以上城市的脱钩情况,结合历史CO₂排放和脱钩情况提出的京津冀城市群达峰判别方法,对京津冀城市群地级以上城市CO₂排放达峰情况进行了判断。结果表明:近5年来,保定、张家口、秦皇岛、邢台、沧州、廊坊、衡水7市碳排放量暂未达到峰值状态;北京、天津、石家庄、承德、邯郸、唐山6个城市已经处于CO₂排放达峰状态。建议已经具备达峰条件的城市抓紧开展达峰行动方案,制定CO₂排放达峰目标。     

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。     

中国光伏组件报废量的预测

在采用威布尔分布模型分析光伏组件使用寿命分布情况的基础上,使用神经网络模型和市场供给A模型分别对中国光伏装机容量和组件报废量进行预测。将光伏组件按照不同质量分成2阶段,考虑不同退化情景预测组件报废量,并计算组件中有价值材料和金属报废量。预测结果表明:2025年后中国光伏组件报废量爆发,到2050年,中国光伏组件报废量最高可达60.22 GW,累计报废最高可达673 GW。在4种退化情景下,到2050年,典型贵金属方面最高产生3134.5 t的Ag;稀有金属方面最高产生228.1 t的Te;463.4 t的Cd,58.5 t的Ga,29.8 t的In;有毒有害金属方面最高产生263.9 t的Pb;Si最高产生量43735.4 t。到2050年,光伏组件材料累积废弃总量最高可达64623193.6 t。     

洞庭湖区南汉垸水体浮游植物群落结构特征及其影响因素

环境要素的变化对浮游植物的群落结构和功能具有重要影响.为揭示洞庭湖南汉垸湖区浮游植物群落结构特征及其影响因素,分别于2017年11月（关泵封水期）和2018年6月（开泵放水期）在洞庭湖区典型堤垸——南汉垸进行了采样调查,并对调查区域内的浮游植物及主要水环境因子进行了系统监测和分析.结果表明:①调查期间共检出浮游植物8门62属,主要隶属于绿藻门（Chlorophyta）、硅藻门（Bacillariophyta）和蓝藻门（Cyanophyta）,浮游植物分布表现出较为显著的时间差异性,11月浮游植物的丰度为8.34×106~3.02×108 L-1,6月为1.13×106~2.04×107 L-1.②Shannon-Wiener多样性指数（H'）介于1.10~3.24之间,Margalef丰富度指数（d）介于1.42~6.40之间,Pielou均匀度指数（J）介于0.48~0.87之间,多样性评价表明,南汉垸整体上介于轻污染与β-中污染之间,局部采样点为α-中污染.③PCA（主成分分析）结果表明,ρ（TN）、ρ（TP）和ρ（NH₄+-N）为南汉垸水体的主要污染因子.④RDA（冗余分析）结果表明,南汉垸浮游植物群落结构分布与pH、ρ（NH₄+-N）及ρ（TN）呈正相关,与WT（水温）呈负相关.研究显示,南汉垸水体介于轻污染与β-中污染之间,营养状态及浮游植物群落结构在时间上差异较大.