Adsorption behavior and photocdegradation mechanism on endocrine disrupters in the TiO_2 photocataritic degradation

农用化学品、除草剂、增塑剂、合成洗涤剂原料等内分泌干扰物给动物生态系统带来了严重的问题。这些材料大多不溶于水，它们是疏水性或树脂溶性的。在TiO_2光催化体系中，研究了这些有毒物质的降解机理和降解速率对其化学结构的影响。紫外辐射下时间吸附证据的直接测量非常复杂，以致于动态吸附行为尚未被揭示。TiO_2表面的吸附反应是光催化剂初始降解的关键因素。将TiO_2固定在石英晶体微天平（QCM）表面，考察其压电效应，并将其作为测量TiO_2表面反应的传感器。紫外照射下吸附在TiO_2薄膜表面的底物通过程序移动到体溶液中，提高了光降解的效率。中间产物在TiO_2薄锉表面被重吸附。因此，制备高活性TiO_2薄膜是研究的关键。将实验数据与计算机计算结果（点电荷和前沿电子密度）进行比较，得出OH自由基对双酚A化学结构的攻击位置。此外，还计算了分解后的底物对催化剂表面吸附行为的部分电荷。负电荷意味着真空或空气中的理论计算与水中的计算有很大的不同。而且，正电荷的值更小。将实际实验值与理论计算值进行了比较，并从分子化学结构上推断了其分解机理。并详细考察了含氟材料和三聚尿酸等不可降解材料在tio2光催化体系中的实验影响因素。少

The endocrine disrupters such as agricultural chemicals, herbicides, plasticizers, and raw material of synthetic detergent have caused the serious problems for the ecosystem of animals. Most of these materials do not dissolve in water, and they are hydrophobic or resin-soluble. In this research, the degradation mechanism and photodegradation rate on the chemical structure of these toxic materials was investigated in TiO_2 photocatalytic system. The direct measure of temporal adsorption evidence under UV irradiation is so complicated that the dynamic adsorption behaviours have not been revealed. The adsorption reaction on the TiO_2 surface is a critical factor for the initial photocatalyst degradation. TiO_2 was fixed on the surface of the quartz crystal microbalance (QCM) to examine piezo the effect, and it was used as a sensor that measured the TiO_2 surface reaction. The adsorbed substrate on the TiO_2 thin film surface by the UV irradiation is moved to the bulk solution by the progr … More esses of photodegradation. Moreover, the intermediates are reabsorbed on the TiO_2 thin file surface. Therefore, the make of the high active TiO_2 thin film is an important key in this research.The attack position of OH radicals to the chemical structure of bisphenol A was the compared between the experimental data and the computer calculation (point charge and frontier electron density). Moreover, partial charge of the ad sorption behavior of the resolved substrate was calculated to the surface of the catalyst. A minus charge implies a big difference from the theoretical calculation in the vacuum or air and the calculation in water. Moreover, the plus charge obtains a smaller value. An actual experiment value was compared with these theoretical calculations, and the resolution mechanism was inferred from a molecular chemical structure. The experiment factors of a non-degradative material as flourine-containing material and cyanuric acid by the TiO_2 photocatalytic system were also inspected in detail. Less