Synthesis Of Alkylaryl Sulfonates And Study On Structure-Property Relationship

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.