Relevant parameters for assessing the environmental impact of some pyridinium, ammonium and pyrrolidinium based ionic liquids

Several physico-chemical properties relevant to determine the environmental impact of ionic liquids - aqueous solubility, octanol/water partition coefficient, chromatographically derived lipophilicity and infinite dilution diffusion coefficients in water - were measured in ionic liquids based on pyridinium, ammonium and pyrrolidinium cations with bis(trifluoromethylsulfonyl)imide anions. The influence of the presence of hydroxyl or ester groups in the physico-chemical properties of these liquids was checked. It appeared that the presence of functional oxygenated moieties reduces the lipophilicity of ionic liquids and so decreases the risk of bioaccumulation in environment.     

Uptake,elimination and biochemical effects of azadirachtin and tebufenozide in algae

Abstract

Effects of azadirachtin (isomer A, AZ‐A) and tebufenozide (TF) on freshwater algae were investigated using indoor aquatic microcosms. AZ‐A and TF were dosed at different concentrations to 10‐L microcosms. Chlorophyll and protein contents of the algae, and the concentrations of the insecticides in water and algae were monitored at intervals of time up to 20 d. Chlorophyll and protein contents in algae were inhibited at treatment levels of 3.0 and 4.5 μg AZ‐A/mL, whereas at 1.5 μg/mL, the chemical stimulated the chlorophyll production. The partition of AZ‐A between water and algae was reversible, and the bioconcentration factor (BCF) was low. In contrast, TF dosed at 0.25 to 0.75 μg/mL stimulated algal growth, probably due to its utilization of carbonaceous and nitrogenous intermediates and other breakdown products of TF as nutrients. The BCF was high and the organism functioned as a sink for the chemical. Extension of the laboratory findings to complex outdoor systems are discussed.     

Sorption of the Fumigant 1,3-Dichloropropene on Soil

Abstract

The fumigant 1,3-dichloropropene (1,3-D) is considered a major replacement to methyl bromide, which is to be phased out of use in the United States by 2005. The main purpose of this study was to evaluate soil–water partitioning of 1,3-D in two California agricultural soils (Salinas clay loam and Arlington sandy loam). The partition coefficients (K _d and K _f ) were determined by directly measuring the concentration of 1,3-D in the solid phase (C _s ) and aqueous phase (C _w ) after batch equilibration. In the Salinas clay loam, the K _f of cis-1,3-D in adsorption and desorption isotherms was 0.47 and 0.54, respectively, with respective values of 0.39 and 0.49 for trans-1,3-D. This slight hysteric effect suggests that a different range of forces are involved in the adsorption and desorption process. Since n was near unity in the Freundlich equation, the Freundlich isotherms can also be approximated using the liner isotherm. At 25°C, the K _d of the 1,3-D isomers in both soils ranged from 0.46 to 0.56, and the K _oc (organic matter partition coefficient) ranged from 58 to 70. The relatively low K _d values and a K _oc that falls within the range of 50–150, suggests that 1,3-D is weakly sorbed and highly mobile in these soils. Understanding the sorption behavior of 1,3-D in soil is important when developing fumigation practices to reduce the movement of 1,3-D to the air and groundwater.     

大气中多环芳烃气固相分配与颗粒物粒径的关系

采集了2005年5月16日～6月3日上海市桃浦地区气相样品、TSP样品及不同粒径的颗粒物样品.用GC-MS对各样品中美国EPA规定优先控制的16种多环芳烃(PAHs)做了定量分析.结果表明,大气中PAHs的气固相分配系数(KP)和各物质的过冷饱和蒸气压(pl⁰)呈良好的线性相关.多元线性回归分析表明,PAHs的气固相分配受颗粒物粒径大小的影响,粒径越大,对PAHs的气固相分配影响越大;过冷饱和蒸气压越高,气固相分配越易受到粒径大小的影响.     

两相分配体系中硅酮母粒对氯苯降解菌Delftia sp. LW26的影响

将硅酮母粒作为两相分配体系中的固态非水相（SNAP）来处理氯苯废气,从细胞表面疏水性（CSH）、菌体表面胞外多聚物（EPS）和电子传递体系（ETS）来探究硅酮母粒的加入对微生物特性以及活性的影响.结果表明,硅酮母粒在1 h内可捕集70%左右的氯苯,5次回收再利用的硅酮母粒在两相体系中对氯苯的去除率仍在99%以上;在较高的初始氯苯浓度下（10 mmol·L^-1）,两相体系中的ETS活性可达到112 mg·g^-1·h^-1,而在单相体系中未检测到ETS活性;两相体系中EPS量较于单相体系也有所提高,并且EPS中的蛋白质与多糖的比值是单相体系的2.34倍,这在一定程度上提高了CSH,使菌体更趋向于粘附在固/液界面,提高了传质效率;CSH总体上随硅酮母粒比例的增加而增加,且在20%时达到最大值.     

多环芳烃在黄河水体颗粒物上的表面吸附和分配作用特征

通过模拟实验研究了多环芳烃在黄河水体颗粒物上的吸附特征,重点探讨了表面吸附和分配作用对吸附的贡献,结果表明:①随着泥沙含量的增加,总吸附量在增加,而单位颗粒物的吸附量却在减少;且泥沙含量不同时,吸附等温式的拟合方程也不同;②颗粒物对多环芳烃的吸附等温线与吸附-分配复合模式拟合较好;表面吸附和分配作用对多环芳烃的吸附实验值与吸附-分配模式中的理论值比较吻合;③在实验浓度范围内,黄河颗粒物对多环芳烃的吸附以表面吸附为主,如当颗粒物含量为3、8和15g/L,液相平衡浓度分别为2.84、2.35和3.4μg/L时,表面吸附对总吸附的贡献分别为67.85%、65.6%和62.69%;且表面吸附对总吸附的贡献大小顺序可以用泥沙含量表示为:3g/L>8g/L>15g/L,即随着泥沙含量的增加,表面吸附的贡献有减小的趋势;④单一多环芳烃在颗粒物上的单位吸附量大于3种多环芳烃共存时的单位吸附量,这从另一角度证实多环芳烃在黄河水体颗粒物上的吸附以表面吸附为主.     

基于城市规划的开封市地质环境风险评价

随着城市化进程的加快,城市地质环境风险评价作为缓解日益严峻的人地矛盾,科学合理地利用地质环境的有效措施,对城市的规划和可持续发展有着十分重要的指导意义。针对开封市的城市规划,将不同类型功能区作为评价对象,建立了地质环境危险性和社会经济易损性评价指标体系,并采用通用的风险评价模型对开封市地质环境风险进行了评价。评价结果显示:开封市高风险区面积占1.21%;次高风险区面积占11.89%;次低、低风险区面积占86.9%。根据评价分区结果,提出了功能优化和风险防控建议。     

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—对-二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.     

长江重庆段两江水相、间隙水和沉积物中邻苯二甲酸酯的分布与分配

对长江重庆段两江水相、间隙水和沉积相中5种邻苯二甲酸酯(PAEs)的分布与分配进行了研究.结果显示水相中PAEs含量为53.2 ～343.0 ng·L-1,间隙水中为916.8～7517.1 ng·L-1,沉积相为1787.0 ～5045.9 ng·g-1,间隙水相PAEs含量高于水相;比较两江PAEs分布,支流嘉陵江污染程度高于长江干流;邻苯二甲酸二丁酯(DBP)和邻苯二甲酸双(2-乙基己基)酯(DEHP)是水体和沉积物中的主要污染物,在间隙水相存在明显富集,这两种污染物在水相中的含量低于地表水质量标准;黏土是影响沉积相中PAEs分布的重要因素,有机质含量对其影响较小;沉积物-间隙水间的lgKoc值与lgKow不相关,DBP在沉积物和间隙水间的分配接近平衡,邻苯二甲酸二甲酯(DMP)、邻苯二甲酸二乙酯(DEP)有由沉积相向间隙水相迁移的趋势,DEHP则由间隙水相向沉积相迁移.与国内外其他地区相比,研究区PAEs含量处于中等偏下水平.