Determination and QSPR analysis of log Kow and log Koc for fluorine containing benzene derivatives

Octanol‐water partition coefficients (Kow) and soil organic carbon sorption coefficients (Koc) were determined for 14 fluorinated benzene derivatives. Quantitative structure‐property relationships were developed using molecular connectivity indices and quantum chemical parameters to analyze the most significant factors influencing these physico‐chemical properties of the compounds. The substitution by F in benzene derivatives has greater influence on Koc than on Kow.     

Recovery of seven kinds of cfc and cfc replacements on high‐surface area activated carbon

The adsorption isotherms, the constants of the Dubinin—Radushkevich plots, and the constants of the Langmuir plots of chlorofluorocarbon (CFC) and CFC replacements on high‐surface area activated carbon were investigated to estimate the recovery efficiency of CFC and CFC replacements. The adsorption and desorption of HFC134a on a high‐surface area activated carbon was much easier than that of CFC 113 and the CFC replacements. The recovery efficiency of CFC replacements depends on the hydrogen atoms in molecule. It is possible that the saturated amount adsorbed in the pores or on the surface of the activated carbon could be evaluated by the W_s constant of the the Langmuir equation and the W_o constant of the Dubinin‐Radushkevich equation. The a constant of the Langmuir equation and the BE_o constant of the Dubinin‐Radushkevich equation depend on the molecular composition.     

污泥基活性炭去除水中重金属离子效能与动力学研究

以城市污泥为主要原料制备了污泥基活性炭(SAC),考察了其对重金属离子的吸附去除效能和吸附动力学规律.并选择了2种商品活性炭(煤质炭,MAC和椰壳炭,YAC)作为对比,以初始浓度为50mg/L的Cu(II),Pb(II),Cd(II),Cr(VI)4种重金属离子为去除对象,分别进行了3种活性炭的表面理化性质分析及其对4种重金属离子的吸附试验.结果表明,SAC的比表面积和微孔容积仅为YAC和MAC的1/3~1/2,吸附速率也相对较慢,但其对Cu(II),Pb(II),Cr(VI),Cd(II)的平衡吸附量却远大于2种商品活性炭,分别为9.9,8.9,8.2,5.4mg/g,说明SAC表面的高酸性基团含量对重金属离子的吸附起到了关键作用;Langmuir与Freundlich吸附等温模型均能较好地拟合SAC对Cu(II)和Pb(II)的吸附,SAC对Cr(VI)的吸附过程更符合Langmuir模型,而SAC对于Cd(II)的吸附过程用Langmuir与Freundlich两个模型均不能较好地拟合,说明SAC表面缺少能够与Cd(II)发生反应的结合位点.     

介质阻挡放电反应器中的二硫化碳降解特性

为了解CS₂(二硫化碳)在介质阻挡放电反应器中的降解特性,提高其去除率,设计并制作了同轴圆柱介质阻挡放电反应器,研究了介质层数、外施电压、中心电极材料及直径、背景气氛种类和RH(相对湿度)对CS₂去除率的影响. 结果表明:在外施电压(4.0～6.5kV)较低时,单介质反应器的CS₂去除率高于双介质反应器;而在外施电压(6.5～9.0kV)较高时,双介质反应器对CS₂的去除效果更好,增大外施电压有利于CS₂的降解. 铜丝比不锈钢丝更适合用作反应器的中心电极,此外,增加中心电极的直径也可提高CS₂去除率. 当中心电极直径从 3.2mm增至4.8mm时,CS₂平均去除率由63%增至75%,但平均质量能耗由510kJ/mg增至611kJ/mg. 同等条件下,CS₂在氧气中的平均去除率(74%)最大,空气(59%)中次之,氮气(48%)中最小;背景气氛中适量的RH(26%)有助于提高CS₂去除率,但RH太大(大于50%)反而会降低CS₂去除率.      

太湖北部不同湖区春、夏季溶解性酸性多糖分布

为研究太湖dAPS(dissolved acidic polysaccharides,溶解性酸性多糖)的时空变化,探讨湖泊水体中dAPS对有机碳的贡献和重要性,于2012年春、夏季调查了太湖北部不同湖区(竺山湾、梅梁湾、贡湖湾、湖心区)水体中ρ(dAPS),分析了其时空变化特征及其与ρ(Chla)之间的关系,并探讨了不同湖湾中dAPS对DOC(溶解性有机碳)的贡献率. 结果表明,太湖北部水体中ρ(dAPS)春、夏季变化范围为3.02~9.93mg/L,平均值为(6.10±1.59) mg/L. 夏季太湖北部各湖区之间ρ(dAPS)没有显著性差异,春季梅梁湾中ρ(dAPS)显著高于湖心区(P<0.05),其他湖区并没有显著性差异. 春、夏两季ρ(dAPS)的最低值均出现在湖心区. 除贡湖湾外,夏季太湖北部各湖区ρ(dAPS)与ρ(Chla)都存在显著线性正相关,而春季各湖区则无显著线性关系. 这说明春、夏季dAPS的受控因素不一样,夏季ρ(dAPS)受藻类影响较大. 夏季各湖区dAPS对DOC的贡献率以贡湖湾最高,平均值高达46.7%±7.7%,春季则以梅梁湾的贡献率较高,平均值为68.6%±5.9%,这意味着dAPS在太湖水体有机碳循环中起着重要的作用.      

太原市工、商业区PM10中PAHs碳同位素组成及来源

利用中流量大气综合采样仪采集太原市工业区和商业区PM₁₀样品,使用GC/IRMS技术分析了PAHs的δ13C值(碳同位素组成),并根据碳同位素质量平衡计算了煤烟尘和机动车尾气对2类功能区的贡献率. 结果表明:工业区PM₁₀中PAHs的δ13C值在-26.0‰~-24.5‰之间,随环数增加呈贫13C趋势,与煤烟尘δ13C值的变化趋势一致,表明煤烟尘是工业区的一个主要污染源;商业区PAHs的δ13C值在-26.6‰~-26.2‰之间,较工业区显著贫13C,商业区与工业区的污染源有明显差异;除机动车尾气和煤烟尘外,工业区和商业区还有其他污染源输入,其中工业区有生物质燃烧排放输入,商业区有机动车曲轴箱润滑油残渣输入;煤烟尘和生物质燃烧对工业区的贡献率分别为59.3%~70.8%和29.2%~40.7%,表明工业区煤烟污染严重;机动车对商业区PAHs的贡献率在86.1%~95.8%之间,是商业区PM₁₀中PAHs的主要排放源,其中润滑油残渣的贡献率(在40.9%~85.3%之间)最大,机动车尾气的贡献率在8.3%~54.9%范围内,而煤烟尘的贡献率(在4.2%~13.9%之间)最小.      

北京大气颗粒物碳质组分粒径分布的季节变化特征

为了解有机碳(OC)和元素碳(EC)在北京大气颗粒物中的季节变化、粒径分布和来源,于2010年3月—2011年2月采用惯性撞击分级采样器采集大气颗粒物样品,热光碳分析仪测定其中有机碳和元素碳质量浓度.结果表明,OC在粗细粒子中含量相当,EC主要存在于细粒子中,在<2.1μm颗粒物中分别占(52±11)%和(70±22)%.OC存在明显的季节变化,冬、夏季高于春、秋季,而EC则表现为冬、秋季大于春、夏季.OC和EC粒径分布呈"双峰型",细粒子段峰值分别位于0.43—1.1μm和0.43—0.65μm,粗粒子段峰值均位于4.7—5.8μm.四季峰值对应的粒径段、峰宽和峰高存在差异.OC与EC粒径分布和相关性的季节变化表明,冬季OC与EC的主要来源为燃煤排放,夏季EC的主要来源为机动车尾气.     

基于密度泛函理论模拟单壁碳纳米管对五种核酸碱基的吸附

基于密度泛函理论,模拟了单壁碳纳米管(SWNTs)对5种碱基的吸附作用.考察了SWNTs直径、电荷转移量、碱基最高占据分子轨道能(EHOMO)和最低未占据分子轨道能(ELUMO)与SWNTs吸附碱基的吸附能之间的关系.结果表明,随着SWNTs直径的增大,SWNTs吸附碱基的吸附能降低.SWNT(6,6)吸附5种碱基的最低吸附能Emin与由碱基转移到SWNTs的电荷转移量(Q)及碱基的EHOMO线性负相关,相关系数分别为-0.966和-0.804(P<0.05).吸附后SWNTs与碱基的前线轨道无重叠,且SWNTs电子结构未受影响,表明吸附行为属于物理吸附.     

Removal of Remazol Brilliant Violet-5R dye using periwinkle shells

The purpose of this research is to obtain optimal processing conditions for the adsorption of Remazol Brilliant Violet-5R (RBV-5R) dye onto activated carbon prepared from periwinkle shells (PSAC) by chemical activation with KOH using response surface methodology. Central composite design (CCD) was used to determine the effects of three preparation variables; CO₂ activation temperature, CO₂ activation time and KOH:char impregnation ratio (IR) on two responses; percentage RBV-5R dye removal and PSAC yield. Based on the CCD, two quadratic models were developed for percentage RBV-5R dye removal and PSAC yield, respectively. The most influential factor on each experimental design response was identified from the analysis of variance (ANOVA). The optimum conditions for the adsorption of RBV-5R dye onto PSAC were CO₂ activation temperature of 811 °C, CO₂ activation time of 1.70 h and IR of 3.0, resulting in 81.28% RBV-5R dye removal and 28.18% PSAC yield. PSAC prepared under optimum conditions was mesoporous with a Brunauer–Emmett–Teller surface area of 1894 m²·g^?1, total pore volume of 1.107 cm³·g^?1 and average pore diameter of 2.32 nm. The surface morphology and functional groups of the activated carbon were respectively determined from the scanning electron microscopy and Fourier transform infrared analysis.     

Trophic transfer of polybrominated diphenyl ethers and polychlorinated biphenyls in a tidal freshwater marsh

The John Heinz National Wildlife Refuge (NWR) at Tinicum Marsh contains one of the last remaining tidal freshwater marsh communities along the Pennsylvania side of the Delaware River Estuary. The marsh receives a significant load of nutrients and sediment-associated contaminants and is hypothesised to act as an effective trap for these chemicals. The goal of this study was to quantify the levels of polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) at various trophic levels at two sites within Tinicum Marsh and assess the factors important in determining their bioaccumulation and trophic transfer. For both PCBs and PBDEs, lipid variation for all species was a large factor in determining contaminant body burden. Also, concentrations in biota increased with increasing trophic level as determined by nitrogen isotope analysis (δ¹⁵N values) at the downstream site within Tinicum Marsh. This trend was less apparent at the upstream site and may be due to differences in feeding behaviours among species between the two sites and/or differences in carbon and nitrogen sources and recycling. These data are valuable in assisting bioaccumulation/trophic transfer studies and serve as benchmarks to which future PCB and PBDE concentrations will be compared.