烷基苯磺酸盐的生物降解性与其结构及降解时间的关系研究

Study on the relationship between quantitative structure, degradable time and biodegradability of alkylbenzenesulfonates

运用拓扑指数研究方法 ,证明阴离子表面活性剂烷基苯磺酸盐系列化合物的生物降解性与其结构及降解时间之间具有明显的相关性。通过回归分析得到降解性 (Y)与分子二阶连接性指数 (2 Xn)及降解时间 (T)的相关模型方程式 ,其复相关系数R >0 99,标准偏差E =1 13 1,平均标准偏差D =0 0 10 7。在传统的单变量QSBR—表面活性剂生物降解性与其结构之间的定量关系研究中引入第二变量时间因子 ,是一种新的尝试 ,补充和完善了QSBR ,提高了结果的合理性和准确性 ,也扩大了其适用范围 ,为众多的同名系列化合物生物降解性的预测和评价提供了一种新的方式和手段。

A remarkable relationship between the biodegradability of alkylbenzenesulfonates and their quantitative structure and degradable time has been found using the term of topologic index.A model equation related the degradability and molecular connection index and degradable time was created by the regression analysis,which showed excellent complex related coefficiency(R>0 99)standard deviation(E=1 31)and average standard deviation(D=0 010 7).It was a new method to introduce the second variable factor of time.The results show more rational and more accurate than that of the traditional single variable QSBR(Quantitative structurebiodegradability relationship).This new method expands the scope of application for the same series of surfactants and judge the biodegradability of alkylbenzene sulfonate surfactants.