大气化学模式的数值计算方法

大气化学模式计算的一个重要研究热点是如何快速、精确地对相互关联的非线性常微分方程组（ＯＤＥｓ） 进行数值积分求解。由于大气中各物种寿命长短相差很大，导致ＯＤＥｓ 具有了很强的刚性，因而在数值求算过程中存在着计算精度和计算效率的平衡问题。笔者介绍了当前几种常见的大气化学模式的计算方法，包括ＧＥＡＲ，ＱＳＳＡ（ ＭＱＳＳＡ） ，Ｙ＆ Ｂ（ ＭＹ＆ Ｂ） ，ＲＡＤＭ ，ＬＳＯＤＥ，ＳＭＶＧＥＡＲ，小参数法，Ｇｏｎｇ ａｎｄ Ｃｈｏ及ＴＷＯＳＴＥＰ 等，并结合当前本领域内的部分研究成果对一些重要的方法进行了比较和分析     

瓦里关山降水化学特征的初步分析

报告了１９９７年在中国大气本底基准观象台（观测站点位于青海省瓦里关山）的降水化学观测结果，该站点位于我国北方高原的半干旱地区，周围较少有局地污染排放源影响，对获的５９个降水样品进行了ｐＨ值、电导率和可溶性离子成分的分析，其结果显示，该地降水的年平均ｐＨ值为６．４，呈中性；年平均电导率为１４．８μＳ／ｃｍ，降水较为洁净；降水中的主要离子成分依次为ＮＨ＾＋４，Ｃａ＾２＋，ＳＯ＾２－４，Ｍｇ＾２＋，Ｎａ     

Concentration, sources and wet deposition of dissolved nitrogen and organic carbon in the Northern Indo-Gangetic Plain during monsoon

Precipitation represents an important phenomenon for carbon and nitrogen deposition. Here, the concentrations and fluxes of dissolved organic carbon (DOC) and total dissolved nitrogen (TDN) with their potential sources were analyzed in wet precipitation during summer monsoon from the Northern Indo-Gangetic Plain (IGP), important but neglected area. The volume-weighted mean (VWM) concentration of DOC and TDN were 687.04 and 1210.23 µg/L, respectively. Similarly, the VWM concentration of major ions were in a sequence of NH₄⁺ > Ca²⁺ > SO₄^2- > Na⁺ > K⁺ > NO₃^? > Cl^? > Mg²⁺ > F^? > NO₂^?, suggesting NH₄⁺ and Ca²⁺ from agricultural activities and crustal dust played a vital role in precipitation chemistry. Moreover, the wet deposition flux of DOC and TDN were 9.95 and 17.06 kg/(ha?year), respectively. The wet deposition flux of inorganic nitrogen species such as NH₄⁺-N and NO₃^?-N were 14.31 and 0.47 kg/(ha?year), respectively, demonstrating the strong influence of emission sources and precipitation volume. Source attribution from different analysis suggested the influence of biomass burning on DOC and anthropogenic activities (agriculture, animal husbandry) on nitrogenous species. The air-mass back trajectory analysis indicated the influence of air masses originating from the Bay of Bengal, which possibly carried marine and anthropogenic pollutants along with the biomass burning emissions to the sampling site. This study bridges the data gap in the less studied part of the northern IGP region and provides new information for policy makers to deal with pollution control.     

太湖北部流域水化学特征及其控制因素

为了解太湖北部流域主要河网区水质受该流域地质状况、岩石和土壤的化学风化作用以及人类活动的影响等方面,对太湖北部流域河网区主要河道水体中的主要离子进行了采样研究。结果表明:太湖北部流域水体中的TDS平均值为355.74mg·L-1,变化范围为276.08～681.54mg·L-1,其中Ca2+和HCO3-是占绝对优势的离子,分别占阳离子和阴离子总量的46.2%和48.9%;其次是Na+和SO42-,分别占阳离子和阴离子总量的35.9%和27.5%。进而判断出该流域水化学类型是以碳酸盐岩石和蒸发岩来源为主的HCO3--Ca2+-Na+型。再从离子的自然起源和人类活动角度分别对水化学类型的控制因素进行分析,一方面利用吉布斯分布模式投点作图得出结论:其离子自然起源的优势机制是岩石的风化作用,而蒸发-结晶和大气降水的输入作用十分微弱,这与该流域的水文、地理、地质背景相一致;另一方面通过SPSS软件的相关关系分析得出结论:NO3-、SO42-、K+、Ca2+和Mg2+的相关性较强,与Cl-也呈正相关,说明水体中这些主要离子都具有共同的来源,其中NO3-的较高含量(平均值为14.74mg·L-1)反映了该流域受人类影响较大。尤其是NO3-与SO42-的相关性达到0.83,再次说明氮污染对该流域水体的酸化和水质变化有较大影响。     

土壤温度上升对某些土壤化学性质的影响

土壤温度变化导致微生物群落组成及其活性产生变化;某些微生物群落成员在较高温度时有能力代谢那些在较低温度时不能被利用的基质;因此,土壤温度上升将影响土壤生态系统中的C、N、S循环。大多数研究结果显示,温度对土壤溶液中的溶解态有机质和土壤有机磷组分有较大的影响。这些结论对预测全球气候变化对土壤的影响有重要的义。     

Forest Health Monitoring in the United States: First Four Years

To address the need for more effective methods for evaluating and assessing forest ecosystem health, the USDA-Forest Service and the US Environmental Protection Agency through its Environmental Monitoring and Assessment Program developed the Forest Health Monitoring program. The program was initiated in 1990 and by 1994 was present in the major areas of the United States. This paper presents an overview of the program, the indicators and methods developed for the program, and some of the results after four years of monitoring and research.     

湖南省大气湿沉降化学研究

以湖南省1999～2001年的酸雨监测数据为基础,运用统计学和线性回归分析方法研究了位于中国中南部的重酸雨区湖南省的大气降水的酸度和化学组成的分布特征以及季节变化规律。结果表明,大气降水以SO_4~(2-)为主,占总离子量的31％,大气降水阴阳离子基本平衡。降水年平均pH值为4.86,以春季酸度最大,降水离子总量以冬季最大。研究结果同时表明,降水酸度是主要酸性离子和主要碱性离子共同作用的结果,而且([H~+]+[NH_4~+])/([SO_4~(2-)]+[NO_3~-])比值的变化能较好的反映降水过程中强酸离子的中和现象。     

气相色谱-质谱联用法测定水源水中酞酸酯和己二酸酯

用C18固相萃取和液-液萃取两种前处理方法处理水样,然后用气相色谱-质谱联用(GC-MS)定量测定水源水中的6种酞酸酯和己二酸二(2-乙基己基)酯.研究结果表明,用C18固相萃取法测定目标化合物的加标回收率范围为65%～101%,相对标准偏差为5.50%～19.71%;用液-液萃取法测定目标化合物的加标回收率范围为54 5%～107.6%,相对标准偏差为3.56%～14.47%.还研究了C18固相萃取法的方法检测限.除邻苯二甲酸二正丁酯的检测限为1.36 μg/L外,其他目标化合物的检测限为0.05～0.48μg/L.该方法适用于监测水源水中6种酞酸酯和己二酸二(2-乙基己基)酯.对实验过程中污染源的分析结果表明,固相萃取小柱、无水硫酸钠、玻璃毛和溶剂都有可能造成酞酸酯分析污染.     

显色法测定环境样品中的纳米二氧化钛

水环境中纳米二氧化钛分析方法的建立是研究其环境行为的基础.以钛离子与H2O2的显色反应为基础,建立了用分光光度计测定含纳米二氧化钛水样、鱼样的方法.该方法简便可行,不需要复杂仪器设备,测定结果与ICP-AES测定方法相比无显著差异.     

Prediction of environmental partition coefficients and the Henry's law constants for 135 congeners of chlorodibenzothiophene

Polychlorinated dibenzothiophenes (PCDTs) could be classified as persistent organic pollutants (POPs) in the environment and are particularly interesting due to their structural resemblance to highly toxic dioxins. We show here some basic environmental properties such as n-octanol water (K_OW), n-octanol/air (K_OA) and air/water (K_AW) partition coefficients as well as Henry’s law constants (K_H) for all 135 congeners of chlorodibenzothiophene. Predictions were made by regression of principal components (PCR) and with aid of a set of standard chemicals, for which physical–chemical properties are well featured. Computed K_OW, K_OA, K_AW and K_H values for mono-CDTs ranged, respectively, between 4.66 and 4.71, 7.48 and 7.55, −2.84 and −2.82, 3.56 and 3.74; for di-CDTs between 5.02 and 5.28, 8.03 and 8.29, −3.01 and −2.95, 2.42 and 2.75; for tri-CDTs between 5.53 and 5.70, 8.65 and 8.87, −3.2 and −3.11, 1.58 and 1.92; for tetra-CDTs between 5.95 and 6.13, 9.27 and 9.50, −3.39 and −3.27, 1.02 and 1.33; for penta-CDTs between 6.38 and 6.51, 9.88 and 10.05, −3.54 and −3.45, 0.72 and 0.88; for hexa-CDTs between 6.83 and 6.97, 10.54 and 10.66, −3.72 and −3.64, 0.47 and 0.56; for hepta-CDTs between 7.28 and 7.35, 11.12 and 11.20, −3.81 and −3.87, 0.33 and 0.38; for octa-CDT 7.74, 11.78, −4.04 and 0.23. An estimated value of the three types of partition coefficient and Henry’s law constants suggest that polychlorinated dibenzothiophenes are lipophilic and semi-volatile persistent organic pollutants. Their mobility in the environment seems to be very similar to that of some well-known POPs such as polychlorinated dibenzofurans, -dibenzo-p-dioxins, and -biphenyls or organochlorine pesticides.