基于TLSER和QSPR关系预测PAHs和PCBs的LDPE膜-空气分配系数

有机污染物在被动采样材料与环境介质之间的平衡分配系数(K_P),是测定环境中有机污染物浓度的重要参数,但K_P值大部分都需要经过繁琐的实验测定获取,无法逐个测定数量繁多的污染物,因此需开发一种预测K_P值的方法。为此,搜集整理了一些多环芳香烃(PAHs)和多氯联苯(PCBs)的低密度聚乙烯(LDPE)-空气分配系数(K_PA)的实测值,基于理论线性溶解能(TLSER)和定量结构性质关系(QSPR),利用逐步多元线性回归(MLR)分别构建了预测K_PA值的模型。模型的决定系数R2adj分别为0.927和0.956,交叉验证系数Q2LOO分别为0.915和0.946,外部系数Q2ext分别为0.913和0.960。结果表明,2种模型具有良好的拟合优度、稳健性和预测能力,并解释了模型的机理。所构建的2种模型均可用来预测应用域内有机污染物的LDPE膜-空气分配系数。     

基于遗传-支持向量机和遗传-径向基神经网络的有机物正辛醇-水分配系数QSPR研究

基于遗传算法(GA)的因子筛选和支持向量机(SVM)的非线性回归,提出了1种改进的有机物定量结构-性质相关(QSPR)建模方法--遗传-支持向量机(GA-SVM),并将其用于38种食品工业常用有机物正辛醇-水分配系数(Kow)的QSPR建模.结果显示,QSPR模型选取了分子量、Hansen极性、沸点、含氧率和含氢率5种参数;模型的预测值与实测值间的误差平方和(SSE)、均方差(RMSE)和决定系数(R2)分别为0.048、0,036和0.999,表明模型具有较强的预测能力;同时,交叉验证的结果(SSE=0.295,RMSE=0.089,R2=0.995)也表明,模型具有良好的稳健性,因此,GA-SVM算法适用于对有机物正辛醇-水分配系数的QSPR建模.此外,将基于GA-SVM的QSPR模型分别与基于遗传-径向基神经网络(GA-RBFNN)和基于线性算法的模型进行了比较,结果表明,应用GA-SVM建立的QSPR模型无论从稳健性还是预测能力上都优于应用其它2种算法建立的模型,因此,GA-SVM算法比GA-RBFNN和线性算法更适合于对有机物正辛醇-水分配系数进行QSPR建模.     

基于土壤流失的农业面源TN和TP排海系数估算

以黄河三角洲为典型研究区,通过分析区域地表污染物流失风险与入海通量的关系,构建了海岸带农业总氮（TN）和总磷（TP）面源污染排海估算模型.在此基础上,计算了包含水田、水浇地和旱地等耕地类的TN和TP面源污染排海系数,验证表明输出系数估算结果较好.研究区耕地的TN和TP排海系数分别为18.33 kg·（hm²·a）^-1和1.02 kg·（hm²·a）^-1,在夏季面源污染负荷较高.子流域尺度较大的耕地类农业面源污染负荷主要位于支脉河、广利河和小岛河管控区域.TN和TP总负荷较大的行政区主要位于北部黄河口镇和永安镇;较大的单位面积负荷在西南部.因此,需要关注农业面源污染的时间效应,同时协调社会经济发展,从子流域和行政单元的角度制定综合性面源污染防控策略,陆海统筹治理海域污染.     

Estimating the volatilization of ammonia from synthetic nitrogenous fertilizers used in China

Although it has long been recognized that significant amounts of nitrogen, typically in the form of ammonia (NH(3)) applied as fertilizer, are lost to the atmosphere, accurate estimates are lacking for many locations. In this study, a detailed, bottom-up method for estimating NH(3) emissions from synthetic fertilizers in China was used. The total amount emitted in 2005 in China was estimated to be 3.55 Tg NH(3)-N, with an uncertainty of ± 50%. This estimate was considerably lower than previously published values. Emissions from urea and ammonium bicarbonate accounted for 64.3% and 26.5%, respectively, of the 2005 total. The NH(3) emission inventory incorporated 2448 county-level data points, categorized on a monthly basis, and was developed with more accurate activity levels and emission factors than had been used in previous assessments. There was considerable variability in the emissions within a province. The NH(3) emissions generally peaked in the spring and summer, accounting for 30.1% and 48.8%, respectively, of total emissions in 2005. The peaks correlated with crop planting and fertilization schedules. The NH(3) regional distribution pattern showed strong correspondence with planting techniques and local arable land areas. The regions with the highest atmospheric losses are located in eastern China, especially the North China Plain and the Taihu region.     

Analysis of behavioral changes of zebrafish (Danio rerio) in response to formaldehyde using Self-organizing map and a hidden Markov model

Two computational methods were applied to classification of movement patterns of zebrafish (Danio rerio) to elucidate Markov processes in behavioral changes before and after treatment of formaldehyde (0.1 mg/L) in semi-natural conditions. The complex data of the movement tracks were initially classified by the Self-organizing map (SOM) to present different behavioral states of test individuals. Transition probabilities between behavioral states were further evaluated to fit Markov processes by using the hidden Markov model (HMM). Emission transition probability was also obtained from the observed variables (i.e., speed) for training with the HMM. Experimental transition and emission probability matrices were successfully estimated with the HMM for recognizing sequences of behavioral states with accuracy rates in acceptable ranges at central and boundary zones before (77.3-81.2%) and after (70.1-76.5%) treatment. A heuristic algorithm and a Markov model were efficiently combined to analyze movement patterns and could be a means of in situ behavioral monitoring tool.     

大型火电机组二氧化硫排放规律研究

选取35台装机容量30万千瓦以上大型火电机组,进行了为期2年的监测。总结出大型火电机组二氧化硫排放规律,对大型火电机组燃煤含硫量、脱硫设施脱硫效率和二氧化硫排放浓度三者间的关系进行了统计分析,建立了线性回归方程,进而对燃用不同含硫量燃煤的火电机组执行不同排放标准时,配套脱硫设施需要达到的脱硫效率进行了预测。     

青岛市港口船舶大气污染排放清单的建立及应用

2002~2006年青岛市环保局与瑞典国际开发合作署合作开发了青岛市空气环境质量管理系统,建立青岛市海上交通源大气污染排放清单是其中的一项子专题,范围涉及青岛沿岸分布的港口,重点考虑船舶停泊港口及航线过程的大气污染物排放,划分了20条航线。建立的青岛市海上交通源大气污染排放清单在开发的基于GIS地理信息系统EnviMan复合源大气扩散模型中得到较好应用,实现了对沿海主要大气污染物排放量的空间模拟测算,解析出大气污染排放清单建立年度青岛市港口、航运排放的大气污染物对市区环境空气中的SO₂、NO_X浓度贡献分别约占8.0%、12.9%。     

Advances in the treatment of multi-pollutant flue gas in China's building materials industry

In most of the world's building material industries, the control of flue gas pollutants mainly focuses on a single pollutant. However, given the large capacity and high contribution of China's building materials industry to global air pollution, the need to develop multi-pollutant emission reduction technology is urgent. Recently, China has focused on reducing the emissions of flue gas pollutants in the building materials industry, established many key research and development projects, and gradually implemented more stringent pollutant emission limits. This project focuses on the most recent advances in flue gas emission control technology in China's building materials industry, including denitration, dust removal, desulfurization, synergistic multi-pollutant emission reduction, and the construction of pilot research and demonstration projects for pollutant removal in several building material industries. On this basis, revised pollutant limits in flue gas emitted in China's building material industry are proposed.     

VOC emission caps constrained by air quality targets based on response surface model: A case study in the Pearl River Delta Region, China

Because of the recent growth in ground-level ozone and increased emission of volatile organic compounds (VOCs), VOC emission control has become a major concern in China. In response, emission caps to control VOC have been stipulated in recent policies, but few of them were constrained by the co-control target of PM_2.5 and ozone, and discussed the factor that influence the emission cap formulation. Herein, we proposed a framework for quantification of VOC emission caps constrained by targets for PM_2.5 and ozone via a new response surface modeling (RSM) technique, achieving 50% computational cost savings of the quantification. In the Pearl River Delta (PRD) region, the VOC emission caps constrained by air quality targets varied greatly with the NO_x emission reduction level. If control measures in the surrounding areas of the PRD region were not considered, there could be two feasible strategies for VOC emission caps to meet air quality targets (160 µg/m³ for the maximum 8-hr-average 90th-percentile (MDA8-90%) ozone and 25 µg/m³ for the annual average of PM_2.5): a moderate VOC emission cap with <20% NOx emission reductions or a notable VOC emission cap with >60% NO_x emission reductions. If the ozone concentration target were reduced to 155 µg/m³, deep NO_x emission reductions is the only feasible ozone control measure in PRD. Optimization of seasonal VOC emission caps based on the Monte Carlo simulation could allow us to gain higher ozone benefits or greater VOC emission reductions. If VOC emissions were further reduced in autumn, MDA8-90% ozone could be lowered by 0.3-1.5 µg/m³, equaling the ozone benefits of 10% VOC emission reduction measures. The method for VOC emission cap quantification and optimization proposed in this study could provide scientific guidance for coordinated control of regional PM_2.5 and O₃ pollution in China.     

Mercury emissions and partitioning from Indian coal-fired power plants

In India coal combustion is the single largest source of emission of mercury which is a wide-spread persistent global toxicant, travelling across international borders through air and water. As a party to the Minamata convention, India aims to monitor and reduce Hg emissions and stricter norms are introduced for mercury emissions from power plants (30 μg/Nm³for flue gas in stack).This paper presents the results obtained during the experimental studies performed on mercury emissions at four coal-fired and one lignite-fired power plants in India. The mercury concentration in the feed coal varied between 0.12–0.27 mg/Kg. In the mercury mass balance, significant proportion of feed coal mercury has been found to be associated with fly ash, whereas bottom ash contained very low mercury. 80%–90% of mercury was released to air through stack gas. However, for circulating fluidised bed boiler burning lignite, about 64.8% of feed mercury was found to get captured in the fly ash and only 32.4% was released to air. The mercury emission factor was found to lie in the range of 4.7–15.7 mg/GJ.