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.     

Recent advances in catalytic decomposition of ozone

Ozone (O₃), as a harmful air pollutant, has been of wide concern. Safe, efficient, and economical O₃ removal methods urgently need to be developed. Catalytic decomposition is the most promising method for O₃ removal, especially at room temperature or even subzero temperatures. Great efforts have been made to develop high-efficiency catalysts for O₃ decomposition that can operate at low temperatures, high space velocity and high humidity. First, this review describes the general reaction mechanism of O₃ decomposition on noble metal and transition metal oxide catalysts. Then, progress on the O₃ decomposition performance of various catalysts in the past 30 years is summarized in detail. The main focus is the O₃ decomposition performance of manganese oxides, which are divided into supported manganese oxides and non-supported manganese oxides. Methods to improve the activity, stability, and humidity resistance of manganese oxide catalysts for O₃ decomposition are also summarized. The deactivation mechanisms of manganese oxides under dry and humid conditions are discussed. The O₃ decomposition performance of monolithic catalysts is also summarized from the perspective of industrial applications. Finally, the future development directions and prospects of O₃ catalytic decomposition technology are put forward.     

厦门市冬季PM2.5污染情境识别及其与气象条件的关系

为研究厦门市冬季不同PM_2.5污染情境与气象条件和气团轨迹路径特征的关系,结合PM_2.5观测数据,使用AGAGE（Advanced Global Atmospheric Gases Experiment）统计方法识别2014—2018年冬季厦门市PM_2.5观测值、基线值和污染值情境,通过气象数据统计和气团后向轨迹聚类对不同PM_2.5污染情境下气象条件和气团轨迹路径特征进行探究.结果表明:①厦门市冬季不同PM_2.5污染情境下,ρ（PM_2.5）及PM_2.5污染值情境时长占比均呈波动中下降的趋势,具体表现为冬季PM_2.5观测值、污染值和基线值情境下,ρ（PM_2.5）平均值分别从2014年的42.2、90.7、16.4 μg/m3降至2018年的26.3、56.9、8.8 μg/m3,冬季PM_2.5污染值情境时长占比从2014年的10.2%降至2018年的3.0%.②冬季PM_2.5污染值情境下气象要素呈低风速、低气压、高温度、高相对湿度的特征.③冬季到达厦门市的气团轨迹路径中,局地路径由于大气条件稳定易累积形成PM_2.5污染;偏北路径和西北路径易从临近省份携带污染物输入导致PM_2.5污染,属于重要的外源污染输入路径;沿海路径和偏西路径均属于清洁路径,但沿海路径易在福建省北部与偏北路径重合形成污染输入,加强了偏北路径的污染物输送能力.研究显示,近年来厦门市冬季PM_2.5污染有明显减弱趋势,但不利的气象条件和外来污染输入仍会造成PM_2.5污染的发生.      

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.      

基于生态系统服务供需关系的广西县域国土生态修复空间分区

国土生态修复是我国土地整治战略发展的需求,其空间分区与管控是实施国土整治与生态修复差别化建设的前提条件。以广西各县市为研究单元,在测算和分析生态系统服务供给量和需求量基础上,利用象限匹配法、双变量局部空间自相关和供需协调度来定量分析生态系统服务供需匹配关系、空间聚集程度和协调关联性,进而探讨和划分广西国土生态修复的空间分区及其管控措施与建议。研究表明：（1）广西各县市生态系统服务供给和需求差异明显。环绕广西的四周山林地和重点生态功能区县生态系统服务供给量较高,大中城市区则较低。生态系统服务需求量自东南向西北逐渐减少。（2）广西生态系统服务供需空间匹配呈现高供高需型、低供高需型、低供低需型、高供低需型四种类型,供需局部空间自相关以高-低或低-高的空间聚集为主,且生态系统服务供需协调度平均值为0.531,处于一般均衡。（3）结合生态系统服务供需匹配四类特征和广西地理环境条件,将广西各县域划分为10个分区,并针对各分区提出差异化整治措施和建议。总体上,生态系统服务高供高需型的区域应以保育为主、培育为辅,防止过度开发;高供低需型的区域以保护为主,提高管理水平;低供高需型的区域应以综合改良为主,提高土地效益;低供低需型的区域应以国土生态重构或重建为主,侧重恢复生态系统。     

永定河上游流域水生态系统服务价值评估

张家口市是首都的水源涵养区和生态功能支撑区,流经该区域的永定河上游流域发挥着保育水资源的重要作用。为全面认识永定河上游流域水资源生态价值,对流域水生态各项服务功能开展定量评价。以2017年为基准年,综合采用InVEST模型与市场价值法系统评估研究区的水源供给量,以空间和货币的手段直观地表达该地区的水源供给情况;对于空间数据较难获取的地区,采用当量因子法评估水土保持与生物多样性价值;采用分摊法计算水生态旅游价值。结果表明：其总价值量为55.14亿元,约占张家口市各区县平均GDP（81.87亿元）的67.35%。其中,水源供给价值、水力发电价值、水产品生产价值、休闲娱乐价值等直接使用价值为28.64亿元,土壤保持、河流输沙、生物多样性等间接使用价值为26.50亿元,水源供给、休闲娱乐和水土保持功能对研究区域水生态系统价值提升和发展具有重要作用。研究区单位面积的生态价值和经济效益分别为0.35亿元和0.23亿元,生态价值远高于经济效益。本文因地制宜的综合评价方法提升了价值评估的科学性和可靠性,对于基础数据较为缺乏的地区,有一定的参考意义。     

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.     

油气田在役管道高后果区识别与完整性评价方法

根据油气管道建设与管理的相关标准与规范或导则,针对目前油气田在役管道,明确了其高后果区识别的划分及其在不同标准中的差异以及识别的原则和时间间隔,分别介绍了在管道的相关数据采集的基础上开展地质灾害和第三方破坏造成的管道风险评价方法,管道内外腐蚀的直接评价以及包括剩余强度、剩余寿命和材料在内的管道适用性评价方法,同时给出了这些评价工作所涉及到的相关内容项,对油田管道的完整性管理具有重要的指导作用和应用价值。     

Production,respiration and net ecosystem metabolism in U.S. estuaries

Primary production, respiration, and net ecosystem metabolism (NEM) are useful indicators of ecosystem level trophic conditions within estuaries. In this study, dissolved oxygen data collected every half hour between January 1996 to December 1998 by the National Estuarine Research Reserve System Wide Monitoring Program were used to calculate primary production, respiration, and net ecosystem metabolism. Data from two sites at each of 14 Reserves were analyzed. On average, three quarters of the data available could be used to calculate metabolic rates. Data from two of the Reserves were used to evaluate the assumption of homogeneity of water masses moving past the oxygen sensor. Temperature was the single most important factor controlling metabolic rates at individual sites, although salinity was also important at about half the sites. On an annual basis, respiration exceeded gross primary production demonstrating that all but 4 of the 28 sites were heterotrophic.