[理学]第三章水环境化学-3.ppt

* Biodegradation Bioconcentration Sedimentation Resuspension Soil Sorption Desorption Hydrolysis Oxidation, Reduction Sorption Desorption VolatilizationDeposition Sediments Photolysis Photodegradation Photolysis Photodegradation Partition KOW KOC KOA, PL KOA, PL ? 第三节. 水中有机污染物的迁移转化 n-Octanol-water partition coefficient (Kow); n-Octanol-air partition coefficient (KOA) Water solubility (Sw) Vapor pressure (P) Adsorption coefficient for soil and sediments(Koc) Bioconcentration coefficient (BCF) ....... Photolysis quantum yield (Y) Biodegradation rate constant (kb) Photolysis rate constant (kp) ...... 理化性质 环境行为参数 ? 2. 有机污染物的理化性质 定义：分配平衡时某一有机化合物在辛醇相中的浓度(CO)与其在水相中非离解形式浓度(CW)的比值. The n-Octanol/water partition coefficient (KOW, P) 正辛醇的结构；生物体内的脂肪、类脂类物质； 描述疏水性的参数 (亲脂性？) 2.1 正辛醇/水分配系数(KOW) ? 2. 有机污染物的理化性质 ? 2. 有机污染物的理化性质 Figure 5-1. Ranges in octanol-water partition constants (Kow) for some important classes of organic compounds. 由于KOW的变化范围很大，通常以logKOW表示其大小。 直接实验测定； 通过水溶解度(SW)估算； 通过色谱保留指数估算； 碎片常数和结构因子法测定； 定量结构-性质关系(QSPR)模型； ? 2. 有机污染物的理化性质 如何获取KOW值? 资料来源：R. P. Schwarzenbach, P. M. Gschwend, D. M. Imboden, Environmental Organic Chemistry, John Wiley Sons, Inc. Figure 5-2. Plot of log octanol-water partition constants versus log (subcooled) liquid aqueous solubilities for a variety of organic compound classes. ? 2. 有机污染物的理化性质 通过水溶解度(SW)估算 ? 2. 有机污染物的理化性质 资料来源：R. P. Schwarzenbach, P. M. Gschwend, D. M. Imboden, Environmental Organic Chemistry, John Wiley Sons, Inc. Br Cl Cl Cl Cl Cl Cl Cl Cl . . . . . 0 1 2 7 6 5 4 3 2 1 0 log retention time (min) Log KOW log KOW = 5.1log t(min) - 1.3 Figure 5-3. Relation between log octanol-water partition constants and log retention times on a reversed-phase liquid chromatography system for a series of nonpolar organic compounds (data from Veith et al.,1979). 资料来源：R. P. Schwarzenbach, P. M. Gschwend, D. M. Imboden, Environmental Organic Chemistry, John Wiley Sons, Inc. ? 2.