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.     

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.     

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.     

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。     

Heterogeneity in the relationship between carbon emission performance and urbanization: evidence from China

Mitigation and Adaptation Strategies for Global Change - Global change caused by carbon emissions alone has become a common challenge for all countries. However, current debates about urbanization...     

亚慢性氟暴露致小鼠海马损伤的影响及分子机制研究

为探明亚慢性氟中毒致小鼠海马损伤及分子机制,选用ICR雄性小鼠140只,随机分为对照(C)、低氟(LF)、高氟(HF)、低氟(LF)+L钙离子通道激动剂(FPL)、低氟(LF)+L钙离子通道抑制剂(NIF)、高氟(HF)+激动剂(FPL)、高氟(HF)+抑制剂(NIF) 7组,分别饮用自来水、5、30 mg·L~(-1)氟化钠水溶液90 d,氟染毒第84 d分别腹腔注射生理盐水、FPL64176、Nifedipine7d.同时,采用开场行为及水迷宫检测学习记忆能力;通过HE切片染色观察海马形态结构;根据试剂盒说明检测脑组织谷胱甘肽过氧化物酶(GSH-PX)、总超氧化物歧化酶(SOD)酶活性及丙二醛(MDA)含量;利用RT-PCR和Western Blot法分别检测海马内凋亡相关分子CaMKⅡ和Bax、Bcl-2基因/蛋白表达.结果发现,HF组、LF+FPL组和HF+FPL组小鼠毛发粗糙,暴躁不安.LF、HF组小鼠自发活动、探究行为及空间学习记忆力显著下降(p0.05),海马细胞损伤,SOD、GSH-PX活性极显著下降(p0.01),CaMKⅡ基因/蛋白表达水平显著(p0.05)或极显著(p0.01)上调,Bax基因/蛋白表达水平显著(p0.05)或极显著(p0.01)上调,Bcl-2基因/蛋白表达水平显著(p0.05)或极显著(p0.01)下调,Bax与Bcl-2基因/蛋白表达水平比值显著(p0.05)或极显著(p0.01)上调;LF+FPL、HF+FPL处理加剧了上述基因/蛋白表达水平,LF+NIF、HF+NIF组可逆转上述基因/蛋白表达水平.结果提示,氟中毒致脑损伤与L型钙离子通道及下游相关分子表达异常密切相关,而L钙离子通道抑制剂(Nifedipine)能改善氟暴露造成的海马损伤.     

广东省生活垃圾焚烧设施环境与健康风险评估构架研究

生活垃圾焚烧设施的建立是解决城市生活垃圾逐年增多的有效方式之一,但其所引发的环境与健康问题成为公众关注的热点。基于广东省对生活垃圾焚烧设施的研究,以环境管理为目标,结合国内外在该领域的研究现状,提出广东省生活垃圾焚烧设施环境与健康风险评估构架。通过该构架的多年实践,总结了广东省生活垃圾焚烧设施环境与健康风险评估研究所取得的成效,有望将该成果推而广之,从而使该行业实现绿色生态的蓬勃发展。     

大型工业企业污染物防治的会计成本控制策略研究

为了降低大型工业企业污染物防治的成本,提出会计成本控制策略研究。基于自然对数模型,对企业污染物防治的会计成本控制模型进行构建。采用最小二乘回归分析法,分析会计成本控制模型的约束变量,设计能源消费结构,将污染排放水平等参量作为结构的解释变量,对模型的回归系数进行计算,完成会计成本控制模型的构建。引入面板数据随机分析法,分析大型工业企业污染防治的弹性关系,通过会计成本控制模型,实现会计成本的最优控制。     

大型电力企业污染治理型营销策略研究

大型电力企业是国家发展电力需要重要扶持的企业。在大型电力企业电源结构中,火力发电占据重要地位,消耗煤炭的同时,会产生固体污染和废气污染,影响生态环境。为此,在提高大型电力企业完成电能输出的同时,需实现对环境的保护,提出对大型电力企业污染治理型营销策略进行研究。通过分析大型电力企业发展的生态环境、经济环境和行业发展环境,总结大型电力企业营销外部环境现状。考虑火力发电在电源结构中的地位以及对环境造成的污染,提出设计火力发电以外的电源结构,实现大型发电企业污染治理型营销策略提出与研究。     

发光细菌生物毒性抑制率优化研究

发光细菌生物毒对水生生态环境有极大的破坏作用,为保护水体环境,提出发光细菌生物毒性抑制率优化研究。完成测试样品调制;设置菌悬液特征参数,利用pH、RLU及D600进行同步检测,完成发光细菌生物毒性重现;分析磺胺类药品于根际土壤的形态分布和生态毒性,完成发光细菌生物毒性抑制率优化研究。实验证明,三种磺胺类药品对发光细菌生物毒性的相对抑制率都小于30%,为低毒性;其中有机溶剂对发光细菌生物毒性的抑制率最大,水溶态较大,结合态最小。