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采用固相微萃取气相色谱/质谱联用技术分析了水中 11 种多环芳烃,并获得其平衡时的分配系数。当固相微萃取纤维上涂渍的固定液被视为一种有机溶剂时,根据萃取系统间线性的自由能关系,建立了聚二甲基硅氧烷水分配系数 ( Ksw ) 与正辛醇 水分配系数( Kow ) 间的关系式,并将其应用于估算其它多环芳烃的未知的醇水分配系数。所建立的方法简单、快速,与 Leo 碎片法相比,可以更精确地估算取代基位置不同的同分异构体的 Kow 。
Eleven polycyclic aromatic hydrocarbons (PAHs) in water were analyzed by solid-phase microextraction-gas chromatography-mass spectrometry (GC-MS / MS) and their partition coefficients were obtained. When the fixative applied to SPME fibers was considered as an organic solvent, the polydimethylsiloxane water partition coefficient (Ksw) and 辛 辛 were established according to the linear free energy relationship between the extraction systems. Alcohol water partition coefficient (Kow) between the formula, and its application to the estimation of other polycyclic aromatic hydrocarbons unknown water partition coefficients. The established method is simple and fast, allowing for a more accurate estimation of Kow with different isomer positions than the Leo fragmentation method.