蒽醌化合物的光解动力学及定量结构-性质关系

以高压汞灯为光源, 测定了15 种蒽醌化合物(ATQs)的光解速率常数(k), 讨论了取代基位置、数目及种类对ATQs 光解速率的影响.另外,选取9 种氨基蒽醌, 应用偏最小二乘(PLS)算法, 建立了关于k的定量结构-性质关系(QSPR)模型. 根据该模型, 决定k值大小的主要因素包括:分子生成热、H 原子所带最大正电荷、C 原子所带最大负电荷,以及分子最低未占据轨道与最高占据轨道能量差.     

Parameters Influencing Sediments Resuspension and the Link to Sorption of Inorganic Compounds

In the aquatic environment, the accumulation of chemicalcontaminants by sediments poses a potential threat to endemiclife forms and drinking water resources. Trace metals such asCd, Cu, Cr, Ni, Pb, and toxic organic compounds, are among awide variety of contaminants having an affinity for sediments.In this study, experiments were performed simulating sedimentresuspension in the lower Housatonic River, Connecticut, using aParticle Entrainment Simulator. Analyses of grain sizedistributions, porosities and total organic contents of thesediments suggested that these parameters influence theredistribution and entrainment of settleable solids in the watercolumn. These findings were established by evaluating the impactof one parameter on sediment resuspension as a function ofstream flow with the other two characteristics being heldconstant. Total suspended solids and volatile suspended solidsresuspension concentration ranged from 3.2 to 20648.3 mg L^-1,and 1.5 to 1823.8 mg L^-1, respectively, with subsequentincreases in flow rates from 9 to 6 dynes cm^-2. The resuspension concentrations were augmentedby sediment porosity (22.0 to 57.5%), percent finer grain-size distributions at 0.1 mm, and total organic content (2.7 g kg^-1 to 29.0 g kg^-1). Using K _p values, and the dissolvedcontaminant levels of various trace metals, the particulatecontaminant levels of the metals were determined under variousoscillation rates. As sediment resuspension increased withincreased stream flow, there was an overall general increasefrom 0.02 to 33.6 g L^-1 in the particulatecontaminant levels of Cd, Cu, Cr, Ni and Pb.     

人员位置固定的公共场所分区疏散研究

通过将分区疏散转化为分配问题(Allocation Problem),并采用启发式的A*优化算法,对人员位置固定的公共场所分区疏散进行研究。进一步利用基于元胞自动机模型的大型公共场所人员疏散行为模拟仿真系统,在充分考虑公共场所中每个人员的状态、人员之间以及人员与周围环境的相互作用的前提下,对疏散分区的效果进行模拟;通过与未分区的模拟结果相比较,可以认为,分区疏散有助于人员快速疏散,大大缩短整体避难时间,而且基于移动路径搜索的分区更加切合实际。     

某地下大型商业建筑防火分隔方案设计和评估

针对某地下大型商业建筑消防设计在防火分隔方面存在的问题,分析几种常用防火分隔方法的适用性,初步设计几种防火分隔替代方案.采用建筑防火性能化设计思想,分析替代方案所应达到的安全目标,利用火灾动力学模拟软件FDS评估这些方案的分隔效果,给出火灾时防火卷帘迎火面和背火面的温度发展曲线.数值模拟结果表明防火分隔方案3能够达到防火墙的分隔效果,满足该建筑的消防安全要求.     

High acidity tolerance in lichens with fumarprotocetraric, perlatolic or thamnolic acids is correlated with low pKa1 values of these lichen substances

The depsidone fumarprotocetraric acid as well as the depsides perlatolic and thamnolic acids are lichen secondary metabolites. Their first dissociation constants (pK_a1) in methanol were determined to be 2.7 for perlatolic acid and 2.8 for fumarprotocetraric and thamnolic acids by UV spectroscopy. Lower pK_a1 values are, so far, not known from lichen substances. Several lichens producing at least one of these compounds are known for their outstanding tolerance to acidic air pollution. This is demonstrated by evaluating published pH preferences for central European lichens. The low pK_a1 values suggest that strong dissociation of the studied lichen substances is a prerequisite for the occurrence of lichens with these compounds on very acidic substrata, as protonated lichen substances of different chemical groups, but not their conjugated bases, are known to shuttle protons into the cytoplasm and thereby apparently damage lichens.     

离子化有机污染物在沉积物和水相间的平衡分配计算

本文从热力学平衡原理出发,推导出离子化有机污染物在沉积物／水相间分配系数的理论计算模型,并以苯酚,邻氯酚,２,４－二氯酚、五氯酚和苯胺的吸附实验数据为例,计算了它们在中性分子和带电荷的离子形态下的分配系数Ｋｄ和Ｋｄｉ。以及总体分配系数Ｋｄｏ研究结果表明,离子化有机污染物在沉积物和分配行为不仅与该化学物的ｐＫａ和存在形态有关。而且还取决于环境介质的ｐＨ。     

大气污染与平流层气溶胶

本文简述了大气污染与气溶胶的关系，论述了平流层气溶胶对地球辐射收支的影响，从而说明平流层气溶胶的光学性质的变化将影响全球大气环境，在此基础上，计算了不同背景平流层气溶胶的光学常数和光学特性参数。并使用模式光学常数计算了３种火山模工气溶胶的光学特性参数。同时，考察了这些特性参数对光学常数的敏感性。结果表明，后向散射系数对光学常数的变化最敏感，对于某些波长，它的相对变化可比光学常数的相对变化大一个数量     

多次相平衡/液上色谱法的原理与实验--水中挥发烃及其分配常数的测定

介绍了一次、二次及多次相平衡/液上色谱法测定水中有机挥发烃及其气液分配常数的理论关系式。给出分配常数倒数与定量分析误差存在线性关系;研究了温度、离子强度等因素对分配常数的影响。     

用片段常数法估算非极性有机化合物的生物富集因子

根据121种logKow（辛醇－水分配系数）值在1.45～8.19之间的非极性有机化合物在鱼体内生物富集因子（BCF）的实测数据,建立了非极性有机化合物在鱼体中生物富集因子（BCF的片段常数法估算模型．采用分类模型系数比较法对在分类模型中表现不同的同一个片段或结构因子重新确定划分原则,在此基础上模型得到进一步改进．最终模型的可换系数为0.993,平均误差为0239个对数单位．     

山东省滨海旅游度假区水体环境典型全氟化合物污染特征及潜在生态风险

近年来,滨海旅游度假区蓬勃发展,其水体环境质量对人体健康有直接影响;全氟化合物(perfluoroalkyl substances,PFASs)在各环境介质中普遍被检出,因其潜在的毒性而引起广泛关注.以山东省20个滨海旅游度假区水和沉积物为对象,对其中12种典型PFASs的污染特征及其潜在生态风险进行了系统研究.结果表明,在20个度假区所有水体和绝大多数沉积物样品中12种PFASs都被检出;水和沉积物中PFASs的平均含量分别为67.91 ng·L^-1和5.89 ng·g^-1,全氟辛酸(perfluorooctanoic acid,PFOA)和全氟辛烷磺酸(perfluorooctanesulfonic acid,PFOS)都是含量占绝对优势的物质;不同度假区水和沉积物中PFASs总含量(ΣPFASs)及各同系物的含量具有明显差异;在不同度假区水/沉积物体系12种PFASs的分配系数差异明显,长链PFASs(碳原子数≥7)具有更大的分配系数;城市工业废水和生活污水的排放是度假区水和沉积物PFASs的主要来源,水体盐度和沉积物有机质含量不是PF...