导　　师： 陈强

学科专业： H3001

授予学位： 硕士

作　　者： ;

机构地区： 兰州大学

摘　　要： 随着染料工业的迅速发展，染料种类和数量日益增加，染料废水给环境带来的污染也日益加大，高色度的染料废水是目前公认的有害工业废水之一，其中主要含有染料及染料中间体等难降解的有机物，对染料废水的脱色及降解的研究是世界性的难题和热点。近年来，多相光催化技术用于处理染料废水受到普遍关注。但由于染料分子的复杂性，目前人们对光催化降解过程还缺乏详细的了解，其中一个主要问题是中间产物的鉴定比较困难。 本文主要研究内容： (1)本文选择偶氮染料茜素黄r为目标化合物，以纳米tio2为催化剂，利用hplc和lc-ms、gc-ms检测了降解过程中生成的中间产物，对茜素黄r的光催化降解反应机理进行了初步研究。 (2)为了更好地了解光催化降解茜素黄r的反应机理，以mopac/pm3优化的茜素黄r分子稳定几何构型为基准，计算各原子电荷和化学键键长。计算结果表明：羧基上两个氧原子点电荷分别为0-57272、-0.64224，负电荷密度比较大，成为oh进攻的最有利位置；羧基和苯环相连的c-c键最不稳定，反应过程中易发生脱羧反应，mopac计算结果和lc-ms检测结果一致。 (3)在ph值为2.86，二氧化钛催化剂投加量为1.0g·l-1，光照强度为2350μw·cm-2下，检测不同初始浓度的染料降解过程产生的co2，从而得到十三种染料的光催化降解动力学曲线，研究表明不同染料的动力学反应均符合langmuir-hinshelwood动力学模型。 论文主要创新点：采用lc-ms、gc-ms对中间产物进行检测和量子化学计算相结合的方式对茜素黄r的反应机理进行研究；采用实时监测的方式获得tio2光催化降解十三种不同染料的动力学曲线。 With the rapid development of dyestuff industry,the number and the variety of dyestuff have increased day by day.The quantity and the type of dye have increased gradually.The environmental pollution taken by dye waste water has stepped up in the meanwhile.The wastewater with high color degree from print and dye plants is considered as one of the most hazardous industrial wastewater.It contains organic compounds which are more difficult to be biodegraded.The dyeing wastewater has become an important subject in the environmental protection and science research. The photocatalytic degradation of dyeing wastewater has been a subject to a wide range of investigations during the past decades.However,the photocatalytic degradation process is still uncertain due to the complexity of the dye molecule.One of the major problems is the difficulty of detecting the intermediates clearly. The main contents of this paper as follows: /(1/)The photocatalytic degradation of azo dye Alizarin Yellow R in water solution was investigated in the homemade reactor.The varies of the possible intermediates during degradation process were monitored with HPLC,LC-MS, GC-MS.The possible mechanism of Alizarin Yellow R photocatalytic degradation is proposed. /(2/)Quantum chemical calculations were performed for a better understanding of the reaction mechanism of photocatalytic degradation Alizarin Yellow R.On the basis of the optimal geometry conformation of Alizarin Yellow R molecule obtained at MOPAC//PM3 level,the charges value and the bond length were calculated.The MOPAC//PM3 calculation results indicated that the negative point charge on the carboxyl oxygen atoms were-0.57272 and -0.64224 and the C-C bond connected benzene ring with carboxyl group was highly unstable.The decarboxylation reaction was in accordance with the result of MOPAC//PM3 calculation. /(3/)In TiO/_2 suspension system,the kinetic of photocatalytic degradation about thirteen kinds of dyes were studied.The kinetics study/(catalyst dosage:1.0 g·L~/(-1/)

关 键 词： 染料废水 废水处理 光催化降解 纳米 反应机理

领　　域： [环境科学与工程] [环境科学与工程]