基于TLSER关系预测POPs在PUF与空气中的分配系数

为开发一种简洁高效预测K_PA值的方法,本文收集了包含多氯联苯（PCBs）、苯类（Benzenes）、多环芳香烃（PAHs）和杀虫剂（Pesticides）等,共95种污染物在聚氨酯泡沫塑料（PUF）与空气中分配系数（K_PA）的实验值,基于理论线性溶解能关系（TLSER）,运用逐步多元线性回归（MLR）构建了预测K_PA值的模型.结果表明,模型的决定系数R_adj²为0.901,外部验证系数Q_ext²为0.748.TLSER模型有较好的拟合度、稳健性和预测能力,可以预测应用域内POPs在PUF和空气之间的分配系数.     

基于J&E/AAM模型的污染场地VOCs风险防控

土壤或地下水中挥发性有机污染物经包气带迁移后进入建筑物,导致室内污染物聚集危害人体健康.为研究场地蒸气入侵的过程及影响因素,以苯为例,借助一维J&E解析模型和二维近似解析AAM模型,探究土壤性质参数对污染场地建筑物底板处蒸气衰减系数和室内蒸气衰减系数的影响,并分析两个模型的适用条件.结果表明,室内蒸气浓度（C_in）取决于建筑物底板处蒸气浓度（C_ck）和土壤气体进入室内的速率（Q_ck）.J&E模型中,室内蒸气衰减系数（α_sin）随着地基埋深增加先减后增,而AAM模型中室内蒸气衰减系数一直呈上升趋势.毛细管的存在使蒸气衰减系数降低1~2个数量级,土壤水分也可有效阻挡蒸气向上扩散.在低渗透土壤条件下,两个模型计算的室内蒸气衰减系数均在10-4左右;在高渗透土壤条件下,建筑物底板处对流作用强烈,J&E模型建筑物底板处蒸气浓度减小,室内蒸气衰减系数在10-3左右,AAM模型建筑物底板处蒸气浓度为定值,室内蒸气衰减系数随土壤渗透系数的变化大致呈线性增长,且比J&E模型结果高1~2个数量级.研究显示,当污染场地建筑物底部对流作用强烈或在砂土、壤土类土壤中,采用J&E模型更为合理;对流较弱或在粉土、黏土中,可以采用AAM模型代替J&E模型,简化计算过程,便于进行场地风险评估.污染物蒸气在砂土中穿透力较强,而黏土层可以有效阻挡蒸气的迁移,在实际场地风险管控中,可以采用换土或表层覆盖黏土的方法阻挡蒸气的迁移.      

Parameters affecting partitioning of 6 PCB congeners in natural sediments

Polychlorinated biphenyls (PCBs) released by bottom sediments were determined by experiments in which the sediments were artificially resuspended using sediment contaminated with PCBs in a particle entrainment simulator (PES). Sediment cores, spikedwith PCBs, were collected from the Housatonic River in Connecticut and run in the PES at simulated shear stresses from 0 to 0.6 N m^-2. Experimental results from these simulations have shown that mean concentration of PCBs in thesolid phase for sites with high volatile organic carbon (VOC) were significantly greater than samples with low VOC; the reversewas true for the water phase. In addition, on a mass load basis,the amount of PCBs found in sediment increased when shear stresses were increased from 0 to 0.6 N m^-2, beyond which shear stress did not affect mass loads in the watercolumn. Partition coefficients (K _p) were determined from PESsediment and water data for the following congeners: PCB 28, PCB 52, PCB 101, PCB 138, PCB 153, PCB 180. K _p was determined to be inversely proportional to total suspended solids (TSS), butdirectly proportional to chlorine content of the congener. Because of the strong influence of TSS and VOC concentrations onK _p values, agitation of samples using a PES better simulatedreal environmental conditions when compared to jar studies where no agitation was employed. Therefore, a device like the PES is more appropriate in obtaining K _p that would be found underreal stream flow conditions when compared to the traditionalway of measuring K _p using the jar study technique.     

护耳器声衰减性能评价方法的分析研究

简要介绍了最新护耳器声衰减性能评价方法和评价量,利用其方法对美国现今使用的耳塞进行了计算。对本文所涉及的３种评价方法进行分析、比较和评述,并提出建议     

人工神经网络模拟芳基脲土壤吸附系数研究

对38种芳基脲类化合物的土壤吸附系数进行了定量结构－活性相关研究。利用量子化学的AM1方法提取化合物的结构参数，运用多元回归分析和人工神经网络对该化合物进行比较研究。研究结果表明，神经网络法所得结果优于多元回归分析结果，并对分析结果进行了吸附机理讨论。     

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.     

重庆地铁岩石隧道环境振动衰减规律

本文研究了重庆地铁岩石隧道环境振动衰减规律，并预测了重庆地铁振动的影响范围和程度。     

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。     

Polonium (210Po) and lead (210Pb) in marine organisms and their transfer in marine food chains

The determination of ²¹⁰Po and ²¹⁰Pb was performed in marine organisms from the seashore to abyssal depths, encompassing a plethora of species from the microscopic plankton to the sperm whale. Concentrations of those radionuclides ranged from low values of about 5 × 10⁻¹ Bq kg⁻¹ (wet wt.) in jellyfish, to very high values of about of 3 × 10⁴ Bq kg⁻¹ (wet wt.) in the gut walls of sardines, with a common pattern of ²¹⁰Po > ²¹⁰Pb.These radionuclides are primarily absorbed from water and concentrated by phyto- and microzooplankton, and then are transferred to the next trophic level along marine food chains. Investigation in epipelagic, mesopelagic, bathypelagic and abyssobenthic organisms revealed that ²¹⁰Po is transferred in the marine food webs with transfer factors ranging from 0.1 to 0.7, and numerically similar to those of the energy transfer in the marine food chains. As ²¹⁰Po preferentially binds to amino acids and proteins, its transfer in food chains likely traces protein transfer and, thus, ²¹⁰Po transfer factors are similar to ecotrophic coefficients. ²¹⁰Pb is transferred less efficiently in marine food chains and this contributes to increased ²¹⁰Po:²¹⁰Pb activity ratios in some trophic levels.     

Assessment of surface area normalisation for interpreting distribution coefficients (Kd) for uranium sorption

Adsorption of radionuclides on soils and sediments is commonly quantified by distribution coefficients (K_d values). This paper examines the relationship between K_d values for uranium(VI) adsorption and the specific surface area (SSA) of geologic materials. We then investigate the potential applicability of normalising uranium (U) K_d measurements using the SSA, to produce ‘K_a values’ as a generic expression of the affinity of U for the surface. The data for U provide a reasonably coherent set of K_a values on various solid phases, both with and without ligands. The K_a representation provides a way of harmonising datasets obtained for materials having different specific surface areas, and accounting for the effects of ligands in different systems. In addition, this representation may assist in developing U sorption models for complex materials. However, a significant limitation of the K_a concept is that sorption of radionuclides at trace levels can be dominated by interactions with specific surface sites, whose abundances are not reflected by the SSA. Therefore, calculated K_a values should be interpreted cautiously.