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.     

土地利用方式和施肥管理对黑土物理性质的影响

为了探讨东北黑土区土壤水分的调控能力及其影响因素以及土壤水分对降水和不同植被覆盖的响应,以海伦农田生态系统国家野外科学观测研究站内的长期定位试验为基础,利用中子水分仪测定土壤体积含水量,研究裸地、休闲地以及包括单施有机肥、化肥+秸秆还田、单施化肥和不施肥4种处理的农田耕层土壤物理性质和土壤水分动态.结果表明:与休闲地相比,农田土壤容重增加7.47％,而孔隙度、饱和含水量和田间持水量均呈降低趋势,分别下降2.59、6.04和1.90百分点;肥料的施入尤其是施用有机肥和秸秆还田能够改善土壤物理性质;裸地土壤物理性质最差.由于植被耗水量较大,农田和休闲地土壤剖面年平均体积含水量显著低于裸地,施用化肥和秸秆还田可显著降低农田土壤剖面年平均体积含水量.各处理土壤剖面水分变异系数均随土壤深度的增加(0～70 cm深处)而呈先减小后增加趋势.由于植被生长的耗水作用,休闲地和农田土壤水分变化比裸地强烈,秸秆还田加剧了农田土壤水分的变异.土壤储水量的动态变化与降水量之间存在明显相关性,不同土地利用方式和施肥管理对浅层土壤储水量的影响较大,但随着土壤深度的增加,各处理对土壤储水量的影响越来越不明显.     

Electrochemical determination of anaerobic microbial decay coefficients

The biokinetics of attached and suspended bacteria are an essential component of activated sludge models, anaerobic digestion models and biofilm models. These parameters are often assumed or “confirmed” based on the goodness-of-fit of the bioprocess models. Using a microbial fuel cell with a baffled reactor chamber, the attached- and mixed-growth microbial decay coefficients were evaluated under anaerobic conditions. The capability for real-time voltage recording allows easy and accurate measurement of the anaerobic microbial decay coefficients (b_L, lysis-regrowth approach), which were determined to be 0.11 ± 0.01 and 0.15 ± 0.01 d⁻¹ for attached (to anode) and mixed (present in the anode chamber) growth microorganisms, respectively. The corresponding half-saturation constants using glucose as a substrate were 204 ± 10 and 123 ± 1 mg COD l⁻¹. Hence, like an oxygen uptake rate-based approach to measure the microbial kinetics under aerobic conditions, the electrochemical recording provides an attractive method to measure anaerobic microbial decay coefficients.     

Laboratory longitudinal diffusion tests: 2. Parameter estimation by inverse analysis

This study focuses on the verification of test interpretations for different state analyses of diffusion experiments. Part 1 of this study identified that steady, quasi-steady and equilibrium state analyses for the through- and in-diffusion tests with solution reservoirs are generally feasible where the tracer is not highly sorptive. In Part 2 we investigate parameter identifiability in transient-state analysis of reservoir concentration variation using a numerical approach. For increased generality, the analytical models, objective functions and Jacobian matrix necessary for inverse analysis of transient-state data are reformulated using unified dimensionless parameters. In these dimensionless forms, the number of unknown parameters is reduced and a single dimensionless parameter represents the sorption property. The dimensionless objective functions are evaluated for individual test methods and parameter identifiability is discussed in relation to the sorption property. The effects of multiple minima and measurement error on parameter identifiability are also investigated. The main findings are that inverse problems for inlet and outlet reservoir concentration analyses are generally unstable and well-posed, respectively. Where the tracer is sorptive, the inverse problem for the inlet reservoir concentration analysis may have multiple minima. When insufficient measurement data is collected, multiple solutions may result and this should be taken into consideration when inversely analyzing data including that of inlet reservoir concentration. Verification of test interpretation by cross-checking different state analyses is feasible where the tracer is not highly sorptive. In an actual experiment, test interpretation validity is demonstrated through consistency between theory and practice for different state analyses.     

Solubility of toluene, benzene and TCE in high-microbial concentration systems

We report measurements of solubility limits for benzene, toluene, and TCE in systems that contain varying levels of biomass up to 0.13 g mL⁻¹ for TCE and 0.25 g mL⁻¹ for benzene and toluene. The solubility limit increased from 21 to 48 mM when biomass (in the form of yeast) was added to aqueous batch systems containing benzene. The toluene solubility limit increased from 4.9 to greater than 20 mM. For TCE, the solubility increased from 8 mM to more than 1000 mM. Solubility for TCE (trichloroethylene) was most heavily impacted by biomass levels, changing by two orders of magnitude as the microbial concentrations approach those in biofilms.     

A photolysis coefficient for characterizing the response of aqueous constituents to photolysis

UV photolysis and UV based advanced oxidation processes (AOPs) are gaining more and more attention for drinking water treatment. Quantum yield (ø) and molar absorption coefficient (ε) are the two critical parameters measuring the effectiveness of photolysis of a compound. The product of the two was proposed as a fundamental measure of a constituent’s amenability to transformation by photolysis. It was shown that this product, named the photolysis coefficient, k _p , can be determined using standard bench tests and captures the properties that govern a constituent’s transformation when exposed to light. The development showed the photolysis coefficient to be equally useful for microbiological, inorganic and organic constituents. Values of k _p calculated by the authors based on quantum yield and molar absorption coefficient data from the literature were summarized. Photolysis coefficients among microorganisms ranged from 8500 to more than 600000 and are far higher than for inorganic and organic compounds, which varied over a range of approximately 10 to 1000 and are much less sensitive to UV photolysis than the microorganisms.     

灰霾污染和清洁过程中污染物垂直结构特征

针对无锡地区2013年11月6—13日经历的灰霾污染和清洁过程,采用地基遥感激光雷达对空气中的气溶胶颗粒物垂直分布进行垂直探测,发现污染时段气溶胶颗粒物主要积聚在1.8 km以下,消光系数的日均值统计表明,从近地面至高空1.5 km,颗粒物产生的峰值消光系数稳定在0.2 km~(-1);而清洁时段,由于垂直扩散条件改善,颗粒物随高度增加明显减少,1.5 km处的消光系数不足0.05 km~(-1)。同时发现污染时段中,近地面PM_(10)、PM_(2.5)、碳黑(BC)的平均浓度分别是清洁时段的2.48、2.76、3.66倍;大气氧化剂(O3和NO_x的总和)平均值水平是清洁时段的1.73倍。气象条件分析发现,锋面的移动使大气水平、垂直对流运动加剧,污染物得以迅速扩散,空气质量转好,这也是此次污染清除的主要原因。     

大气环境质量评价的灰色聚类法

运用灰色聚类法对西安地区文物古迹的大气环境质量进行了评价，并与综合指数方法作了比较．结果表明，灰色聚类法不仅注意到分级界限的模糊性，而且信息利用率和精度均有较大幅度的提高．因此，利用灰色聚类法评价大气环境质量，方法简便，结论更能反映实际的大气污染现状．     

中国乳腺癌与土壤环境中化学元素的相关性研究

利用土壤元素资料２０６９４４８个数据、乳腺癌死亡调查资料３１３２０例，研究了乳腺癌死亡率与人群生存的土壤环境中64个元素的相关性。结果表明，砷、汞、钡、铊、钕、铀、锆、锑等元素与乳腺癌死亡率有相关性。等级相关系数分别为－０．６８２０（Ｐ〈０．０００５）、０．４５６７（Ｐ〈０．０１）、－０．３７７３（Ｐ〈０．０２５）、－０．３８５２（Ｐ〈０．０２５）、０．３１７９（Ｐ〈０．０５）、－０．４３７７（Ｐ〈