密度泛函方法预测二英类化合物(PCDD/Fs)的正辛醇/水分配系数

在B3LYP/6-31G水平上全优化计算了多氯代二苯并一对-二(噁)英和多氯代二苯并呋喃(PCDD/Fs)系列物的分子结构;基于得到的分子结构描述符,依据修正的线性溶解能理论,分别建立了PCDDs和PCDFs的正辛醇/水分配系数的定量结构-性质关系模型(R2分别为0.985和0.966),并用交叉验证法对模型进行了验证(q2分别为0.983和0.936),用t-检验对各变量进行了检验.检验结果表明,模型的预测能力优于AM1法、单苯环氯取代指数法和拓扑量子方法得出的模型.     

江河中有机污染物挥发速率的模拟和预测

以第二松花江重点有机污染物－硝基芳烃为对象，模拟研究了它们在江河中的挥发过程，同时采用４种理论模式，预测了１６种硝基芳烃的挥发速率常数，并将其结果与模拟实测值进行比较评价，讨论了各种模式的优缺点。     

The application of ground penetrating radar attenuation tomography in a vadose zone infiltration experiment

Cross-borehole ground penetrating radar (XBGPR) is used in monitoring a long-term vadose zone infiltration experiment at a test site in Socorro, NM in order to examine contaminant transport in the vadose zone. XBGPR attenuation tomography is conducted in order to test the ability of using images of electromagnetic attenuation for hydrogeologic investigations. The results of four pre-infiltration attenuation inversions shows standard deviations below 0.1 Np/m, and demonstrate the consistency of the XBGPR tomography technique for making time-lapse observations. Correlation to the core records indicates that XBGPR attenuation tomograms provide high-resolution images of clay distribution in the vadose zone. Water infiltration at the ground surface was initiated in February 1999 at a constant rate of 2.7 cm/day, and continued at this rate throughout the data collection experiment. Time-lapse attenuation tomograms show that attenuation increases by approximately 0.3 Np/m during the water infiltration, and indicate a snowplow effect may be occurring where salts are dissolved by the water and concentrated at the front of the plume. Seasonal temperature changes may also cause changes in electromagnetic attenuation images, and masking the evidence of water infiltration. Thus caution must be taken when using time-lapse attenuation images to interpret the movement of a water plume during a long-term experiment as temperature changes.     

中国蔬菜地土壤重金属健康风险基准的研究

对我国目前土壤和蔬菜中重金属污染评价情况进行了综述,根据全国已报道蔬菜地土壤和蔬菜中重金属含量的数据和相关资料,探讨了蔬菜地土壤和蔬菜中重金属含量之间的关系以及不同的蔬菜种类和品种中重金属的积累差异,并在已有土壤和蔬菜中重金属污染的评价指标基础上,对蔬菜地土壤和蔬菜中重金属的健康风险基准值进行了讨论,尤其对我国各地区蔬菜地土壤中重金属的污染指标值进行了统一的限定,可为制订蔬菜地土壤重金属健康风险标准提供科学依据.     

Radionuclides in the Ecosystem of Lake Tygish in the Zone of the Eastern Ural Radioactive Trace

The radioecological situation in Lake Tygish is described. The lake is situated on the central axis of the Eastern Ural Radioactive Trace (EURT), which was formed after the nuclear accident in the Southern Urals in 1957. The distributions of ⁹⁰Sr and ¹³⁷Cs among the main components of the water body and the results of the measurement of tritium concentration in the water are presented. Mathematical models are described that have made it possible to estimate changes in the concentrations of radionuclides and their amounts accumulated in the water and bottom sediments of the lake during the long period after the accident and to predict the development of the radioecological situation in the lake until 2057. Based on the mathematical models, more accurate data on the initial ecological situation in the lake in the year of the accident have been obtained.     

石油加工业二氧化硫产排污系数验证研究——以济南某石化企业为例

确保主要行业主要污染物排放总量数据的准确性对制定总量减排和区域环境质量改善规划尤为重要.以济南某石化企业为例,对石油加工业常减压、催化裂化、延迟焦化、柴油加氢、硫磺回收等工艺二氧化硫产排污系数开展验证研究.将产排污系数与监测结果对比分析,发现该企业通过产排污系数计算的二氧化硫排放量远大于实际排放量.在此基础上,提出石油加工业二氧化硫产排污系数修订建议.     

自来水中氯消毒能力在不同温度下的变化规律研究

重庆市地处中亚热带季风性湿润气候地区,四周被高山环绕形成独特山地丘陵地形,具有季节气温变化特殊的局地性和代表性.分别监测2014年全年的月平均气温与月平均水温,作出了全年月平均气温与月平均水温变化趋势图,并根据趋势图选定在10℃,15℃,24℃,30℃四个典型不同季节温度下,通过监测相同初始余氯值的出厂水中余氯衰减规律,发现余氯衰减速率随温度变化大小各异,衰减系数排列为:K30℃>K24℃>K15℃>K10℃.根据出厂水在管网中水力停留时间的长短,可随季节温度变化适当调整出厂水加氯量,优化生产效果,节约加氯成本,降低饮水风险.     

Heterogeneous uptake of NO2 on soils under variable temperature and relative humidity conditions

Heterogeneous reactions of nitrogen dioxide (NO₂) on soils collected from Dalian (S1) and Changsha (S2) were investigated over the relative humidity (RH) range of 5%-80% and temperature range of 278-328 K using a horizontal coated-wall flow tube. The initial uptake coefficients of NO₂ on S2 exhibited a decreasing trend from (10 ± 1.3) × 10^-8 to (3.1 ± 0.5) × 10^-8 with the relative humidity increasing from 5% to 80%. In the temperature effect studies, the initial uptake coefficients of S1 and S2 decreased from (10 ± 1.2) × 10^-8 to (3.8 ± 0.5) × 10^-8 and from (16 ± 2.2) × 10^-8 to (3.8 ± 0.4) × 10^-8 when temperature increased from 278 to 288 K for S1 and from 278 to 308 K for S2, respectively. As the temperature continued to increase, the initial uptake coefficients of S1 and S2 returned to (7.9 ± 1.1) × 10^-8 and (20 ± 3.1) × 10^-8 at 313 and 328 K, respectively. This study shows that relative humidity could influence the uptake kinetics of NO₂ on soil and temperature would impact the heterogeneous chemistry of NO₂.     

Aerosol scattering coefficients and major chemical compositions of fine particles observed at a rural site in the central Pearl River Delta, South China

During November-December 2010 aerosol scattering coefficients were monitored using a single-waved (525 nm) Nephelometer at a regional monitoring station in the central Pearl River Delta region and 24-hr fine particle (PM_2.5) samples were also collected during the period using quartz filters for the analysis of major chemical components including organic carbon (OC), elemental carbon (EC), sulfate, nitrate and ammonium. In average, these five components accounted for about 85% of PM_2.5 mass and contributed 42% (OC), 19% (SO₄^2-), 12% (NO₃^-), 8.4% (NH₄⁺) and 3.7% (EC), to PM_2.5 mass. A relatively higher mass scattering efficiency of 5.3 m²/g was obtained for fine particles based on the linear regression between scattering coefficients and PM_2.5 mass concentrations. Chemical extinction budget based on IMPROVE approach revealed that ammonium sulfate, particulate organic matter, ammonium nitrate and EC in average contributed about 32%, 28%, 20% and 6% to the light extinction coefficients, respectively.     

Investigation of partitioning mechanism for volatile organic compounds in a multiphase system

Laboratory experiments were performed to investigate the partitioning behavior of a set of diverse volatile organic compounds (VOCs). After equilibration at a temperature of 25 °C, the VOC concentrations were measured by headspace method in combination with gas chromatography/mass spectrometry (GC/MS). The obtained data were used to determine the partition coefficients (K_P) of VOCs in a gas-liguid-solid system. The results have shown that the presence and nature of solid materials in the working solution control the air-water partitioning of dissolved VOCs. The air/solution partitioning of BTEX and C₉-C₁₀ aldehydes was most affected in the presence of diesel soot. K_P values decreased by a factor ranging from 1.5 for toluene to 3.0 for ethylbenzene. The addition of mineral dust in the working solution exhibited greater influence on the partitioning of short aldehydes. K_P values decreased by a factor of 1.8. The experimental partition coefficients were used to develop a predictive model for partitioning of BTEX and n-aldehydes between air, water and solid phases.