【作者】 岳金明；

【导师】 于涛；

【作者基本信息】 大庆石油学院 ， 应用化学， 2007， 硕士

【摘要】 本文通过分子设计,以邻二甲苯为芳烃原料,酰氯为酰基化原料,合成了邻二甲苯基十四烷的各种异构体,经磺化,中和,制备了十四烷基二甲苯基磺酸盐的各种异构体。用滴体积法测定了自行合成的烷基芳基磺酸盐的临界胶束浓度(cmc)和临界胶束浓度下的表面张力(γcmc),研究了表面活性剂结构对其表面张力的影响。用界面张力扫描法测定了烷基芳基磺酸盐水溶液与正构烷烃之间的界面张力,确定了表面活性剂的等效烷烃碳数,并考察了表面活性剂结构对其等效烷烃碳数的影响,以及表面活性剂的动态界面张力行为。利用定量构效关系原理对烷基苯和烷基苯磺酸盐结构进行数值化表征,利用人工神经网络建立拓扑指数与烷基苯的沸点和烷基苯磺酸的临界胶束浓度之间的非线性关联,进行了训练和预测,取得了满意结果。更多还原

【Abstract】 By means of molecular designing, oxylane and acyl chloride as materials, a series of mono-isomeric sodium Alkylaryl sulfonates were synthesized. Friedel-Crafts acylation, Grignard reaction, Pd-catalyzed hydrogenation, sulfonation and neutralization were conducted during synthesis.The critical micelle concentration (cmc) was mensurated, so did surface tension (γcmc), and the influence of the structure of sulfonates on the surface tension was also studied.The equivalent alkane carbon numbers (EACN) of synthesized sulfonates was determined by the method of interfacial tension scanning, the relationship between structure of sulfonates and EACN and dynamic interfacial tension behavior of alkylbenzene sulfonates were also discussed.A quantitative structure property (QSPR) was used to characterize the molecular structure of the alkyl benzene and alkyl benzene sulfonates. The proposed artificial neural network was used to simulate non-linear relationship between boiling points of alkyl benzenes and cmc of alkyl benzene sulfonates. It showed that there exists very good correlation on the basis of training and prediction.更多还原