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.     

Will polycentric cities cause more CO2 emissions? A case study of 232 Chinese cities

From 2000 to 2010 China experienced rapid economic development and urbanization. Many cities in economically developed areas have developed from a single-center status to polycentricity. In this study, we used exploratory spatial data analysis (ESDA) to identify the population centers, which identified 232 cities in China as having urban centers. COMP was used to represent urban agglomeration, and POLYD (representing how far is the city's sub-centers to the main center), POLYC (representing the number of a city's centers), and POLYP (representing the population distributed between the main center and the sub-centers) were used to indicate urban polycentricity. Night light data were used to determine the CO₂ emissions from various cities in China. A mixed model was used to study the impact of urban aggregation and polycentric data on the CO₂ emission efficiency in 2000 and 2010. The study found that cities with higher compactness were distributed in coastal areas, and the cities with higher multicentricity were distributed in the Yangtze River Delta and Shandong Province. The more compact the city was, the less conducive it was to improving CO₂ emission efficiency. Polycentric development of the city was conducive to improving the CO₂ emission efficiency, but the number of urban centers had no significant relationship with the CO₂ emission efficiency. Our research showed that the compactness and multicentricity of the city had an impact on the CO₂ emission efficiency and provided some planning suggestions for the low carbon development of the city.     

杭州湾北岸36种挥发性有机物污染特征及来源解析

为研究杭州湾北岸VOCs（挥发性有机物）的浓度水平、组成特征、反应活性和潜在来源,采用GC-FID在线监测系统对杭州湾北岸环境大气中的36种VOCs开展了为期1 a（2017年12月-2018年11月）的连续观测,采用LOH（VOCs的·OH消耗速率）和OFP（O₃生成潜势）2种方法估算了大气VOCs的反应活性,并利用PMF（正定矩阵因子分解）和CPF（条件概率函数）模型分析其来源.结果表明:①φ（VOCs）小时平均值在冬季（26.47×10-9）最高,夏季（9.76×10-9）最低;全年φ（VOCs）小时平均值为21.24×10-9,其中烷烃、烯烃+炔烃、芳香烃、卤代烃的贡献率分别为33.24%、34.13%、15.63%、17.00%;φ（烷烃）、φ（芳香烃）和φ（卤代烃）呈较明显的昼夜变化特征,φ（烯烃）和φ（炔烃）无明显昼夜变化趋势.②大气VOCs的总LOH和OFP分别为9.39 s-1和220.57 μg/m3,KOH（·OH反应速率常数）和MIR（最大增量反应活性）系数的平均值分别为17.34×10-12 cm3/（molecule·s）和3.31;KOH和MIR系数的平均值分别与间/对-二甲苯的KOH和乙苯的MIR系数接近,表明大气VOCs的化学反应活性较强;VOCs关键活性物种为异戊二烯、乙烯、丙烯、甲苯、二甲苯和顺-2-丁烯.③特征物种相关性分析表明,杭州湾北岸大气存在老化现象,异戊烷和正戊烷受煤燃烧源影响较大,二甲苯和乙苯受溶剂排放源影响较大,甲苯和苯除受机动车尾气影响外,还受其他排放源影响.④PMF和CPF模型来源分析表明,大气VOCs主要来自石化工业源、燃料挥发源、生物质燃烧和煤燃烧源、机动车排放源和溶剂使用源,其中,机动车排放源主要来自西北方向,其他源主要来自西北、西和西南方向.研究显示,杭州湾北岸大气VOCs来源复杂,受周边工业区的影响较大.      

Investigation to meet China II emission legislation for marine diesel engine with diesel methanol compound combustion technology

In order to reduce the pollutant emission and alleviate the pressure of petroleum resources shortage and greenhouse gas emission at the same time, the use of clean and renewable alternative fuel for marine engines is a promising option. In this study, a marine diesel engine, which was modified to run in diesel methanol compound combustion (DMCC) mode, was investigated. After the diesel injection parameters were calibrated, and combined with a sample after-treatment device DOC (diesel oxidation catalyst), the engine could meet the requirements of China II legislation. The overall MSP (methanol substitute percent) reached 54.1%. The value of each pollutant emission was much lower than that in China II emission legislation, and there was almost no methanol and formaldehyde emissions. When methanol was injected into the inlet manifold, the intake air temperature decreased a lot, as well as the exhaust gas temperature, which were beneficial to increase engine thermal efficiency and improve engine room environment. Compared with the engine running in pure diesel mode, when the engine ran in diesel/methanol dual fuel mode, the combustion phase was advanced, and the combustion duration became shorter. Therefore, the engine thermal efficiency increased, and fuel consumption decreased significantly.     

Concentrations and chemical compositions of PM10 during hazy and non-hazy days in Beijing

In order to study the concentrations of major components,characteristics and comparison in hazy and non-hazy days of PM_(10) in Beijing,aerosol samples were collected at urban site in Beijing from December 29,2014 to January 22,2015.Heavy metals like Zn,Pb,Mn,Cu,As,V,Cr and Cd were deeply studied considering their toxic effects on human being;nine water-soluble inorganic ions(SO_4~(2-),NO_3~-,NH_4~+,Na~+,K~+,Cl~-,Ca~(2+) and Mg~(2+)) and carbon fractions(OC and EC) were also analyzed.The concentrations of heavy metals were 1.03–1.98 times higher in hazy days than those in non-hazy days,mainly due to biomass burning and coal burning.The trends in total heavy metals concentrations were basically consistent with the trends in PM concentrations except for two obvious periods(12.29–12.30;1.14–1.15);but when air masses accumulated locally or around Beijing,trends in PM concentrations and heavy metals were opposite.The proportion for NO_3~-/SO_4~(2-) indicated that mobile sources such as automobiles were important reasons for haze in Beijing.Correlation between OC and EC during non-hazy days was strong(R~2= 0.95) but it was low(R~2= 0.67) during hazy days,and large variations for OC/EC values occurred in hazy days.The calculated mass concentration of SOC is 2.58 μg/m~3,which only accounted for 10.1% of the OC concentration.When air masses from the far north-west,they decreased PM concentration in Beijing and they were relatively clean;however,those from the near east,south-east and south of the mainland increased PM concentration and they were dirty.     

Well-to-wheels greenhouse gas and air pollutant emissions from battery electric vehicles in China

Mitigation and Adaptation Strategies for Global Change - Electric vehicles (EVs) play a crucial role in addressing climate change and urban air quality concerns. China has emerged as the global...     

Green innovation efficiency across China’s 30 provinces: estimate,comparison, and convergence

Mitigation and Adaptation Strategies for Global Change - Considering government and market failure of environmental regulation to combat increasing GHG (greenhouse gas) emissions, green innovation...     

机载产品盐雾试验结果评定判据分析与探讨

针对当前机载产品盐雾试验标准中缺少明确、可量化评估指标,试验结果评定判据粗略笼统且以定性评价为主,已不能满足产品发展和使用环境扩展需求等现状,在总结国内外现行盐雾试验标准的结果评定要求基础上,分析当前机载产品盐雾结果评定判据存在的问题与不足,从管理和技术两个层面提出改进试验结果评定可操作性的建议,指导机载产品盐雾试验实施与评价。     

石英灯辐射加热条件下低密度碳/酚醛复合材料高温响应及分析

目的研究低密度碳/酚醛复合材料在不同地面加热实验测试响应的差异性,指导材料在实际应用环境下的高温响应分析。方法对低密度碳/酚醛复合材料开展了热流为400 kW/m~2的单侧石英灯辐射加热实验,利用热电偶测温系统测量试件在加热过程中不同位置的温度时间历程,并对试件的烧蚀形貌和微观结构进行观测。同时与热流为464k W/m~2的氧乙炔加热陶瓷板辐射加热实验结果进行对比分析,并且采用有限元方法对材料的传热传质多场耦合计算进行分析。结果对于石英灯辐射加热,在测量点升温到接近200℃时,温度响应拐点都依次出现。由于加热的辐射热源不同,在不同的辐射波段下,多孔材料吸收和发射的热量不同,短时间内氧乙炔加热陶瓷板辐射加热使材料内部升温速率比石英灯辐射加热实验的要快,但长时间加热时现象刚好相反。结论进行传热传质多场耦合计算材料高温响应时,合理确定材料宏观性能随温度的变化至关重要。     

纤维增强气凝胶复合材料高温结构转变及热稳定性研究

目的研究高温受热条件下纳米复合隔热材料的结构转变特征及热稳定性。方法采用扫描电镜、X射线衍射仪、红外光谱仪及热重仪等检测方法。结果纤维增强气凝胶材料从室温到650℃存在连续的质量损失,从室温到放热前,质量损失为1.66%;365℃开始出现放热,温度升至398℃时达到峰值,整个放热过程对应质量损失约为1.3%;从435℃放热结束开始到650℃的质量损失为1.46%。经过400℃热处理后,试样比表面积从268m~2/g增加到437m~2/g;当试样热处理温度达到600℃时,试样的比表面积明显随之降低至198m~2/g。结论 SiO_2气凝胶复合材料以无定形结构为主,存在少量的二氧化钛晶体。在400℃左右,SiO_2气凝胶结构中硅甲基Si—CH_3发生氧化,产生明显的放热峰,之后硅羟基Si—OH之间发生缩聚反应,使600℃热处理后气凝胶中Si—O—Si网络骨架强度有所提高。未处理的纤维增强气凝胶材料试样上气凝胶纳米颗粒构成的块体较为良好地包裹在玻璃纤维表面,而经过600℃的高温热处理1 h后,块体气凝胶脱离了光滑的纤维表面,气凝胶纳米粒子发生收缩,致使材料比表面积下降。