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出 处:《环境科学》2008年第3期638-642,共5页Environmental Science
基 金:国家自然科学基金项目(20477031)
摘 要:环糊精-αCD、-βCD和-γCD能分别与双酚A形成1∶1主-客体包结物.在250W金属卤化物灯(λ≥365 nm)光照下,研究了在Fe(Ⅲ)-OH配合物体系中,不同环糊精对双酚A光降解的影响.结果表明,-βCD能较大地促进双酚A的光降解,-αCD次之,而-γCD对双酚A的光降解存在一定的抑制;并且CDs浓度的变化对双酚A光降解的初始速率有明显的影响.双酚A光降解的初始速率随着-βCD和-αCD浓度增大而增加,当-βCD=60μmol/L时达到最大,然后随着浓度增大而降低,而BPA的光降解初始速率随-γCD浓度的增加总的趋势是减小的.通过计算机软件Gaussian98,采用PM3方法模拟了环糊精与双酚A的包结行为,进一步说明3种环糊精与双酚A形成主-客体包结物对光降解的影响.Cyclodextrins (CDs) can form a host/guest inclusion complex with bisphenol A( BPA). Under a 250 W metal halide lamp (λ≥ 365 nm), the effects of different cyclodextrins to oxidation of endocrine disrupter BPA in the Fe( Ⅲ)-hydroxyl complexes system were investigated. In the presence of α- cyclodextrin or β-cyclodextrin (α-CD or β-CD), the photodegradation efficiency of BPA can be enhanced, but γ- cyclodextrin (γ-CD) showed inhibitive effect on the photodegradation efficiency. The initial degradation rate of BPA firstly increased with increasing concentration of β- CD and α- CD from 0 to 60 μmol·L^-1 , and the maximum rate was reached at the β- CD concentration of 60 μmol·L^-1, and then decreased. But the initial degradation rate of BPA decreased with increasing concentration of γ- CD. Furthermore, the structures of BPA, CDs and BPA/CDs were optimized used the PM3 method in Gaussian98 software package. The results showed that BPA partly entered the cavity of CDs, which formed different super-molecular host-guest complexes, and resulted in the different photodegradation rates of BPA tinder UV-vis irradiation.
关 键 词:双酚A 环糊精 Fe(Ⅲ)-OH配合物 光降解 PM3
分 类 号:X13[环境科学与工程—环境科学]
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