偶氮类染料脱色率的定量构效关系  

Quantitative structure-activity relationship of azo dyes decolorization rate

作　　者：刘旭东[1] 陶学松[1] 陈艳红[1] 薄文晴 林雪[1] 

机构地区：[1]沈阳建筑大学市政与环境工程学院,沈阳110168

出　　处：《环境工程学报》2014年第4期1329-1332,共4页Chinese Journal of Environmental Engineering

基　　金：国家自然科学基金资助项目(51108277)

摘　　要：偶氮类染料的生产和使用过程中存在着三废多、难脱色和污染严重等问题,该染料是印染工业的主要污染物。选取偶氮类染料的分子结构参数和其光催化氧化脱色率之间建立定量结构活性关系(QSAR),进而得到回归方程,为印染废水处理和染料环境行为评价提供理论预测。结果表明,偶氮类染料的光催化氧化脱色率与其结构之间存在着线性相关性,线性方程为:D=0.647μ+66.277,(D为脱色率、μ为偶极矩)R=0.989方程具有预测能力。There are many problems during the process of fabrication and application of azo dyes,including numbers of wastes, more difficulties of decoloration, and serious environmental pollution problems and so on. Just because of this,azo dyes have been identified as the key pollutants of the printing and dyeing wastewater. On the basis of molecular structure parameters and oxidation decolorization rate of azo dyes, we establish quantitative structure activity relationship （QSAR） , thus obtain the regression equation. Apparently, it provides theoretical predictions for printing and dyeing wastewater treatment and dyes environmental behavior evaluation. The results show that azo dye decoloring rate has a significant linear correlation with its structure. Linear equation： D = 0. 647μ ＋ 66. 277 （D decolorization rate, μ dipole moment）R = 0. 989, so the equation is predictive.

关 键 词：偶氮染料 脱色率 定量构效关系 

分 类 号：X830.2[环境科学与工程—环境工程]