摘要
运用分子拓扑理论探讨芳香烃在简单盐水溶液中盐效应常数 ks与芳香烃和盐结构之间的定量关系 ,提出了新的拓扑指数 ,给出了新的计算方法。计算盐效应常数 ks的各种理论值 ,并与实验值进行比较 ,结果表明新方法的计算值最接近实际。
An approach based on the molecular topology was used to study the relationship between salt effect constants of five aromatic hydrocarbons in the simple ion aqueous salt solution and its molecular structure.A quantitative relation was developed to characterize the structure property relationship and to predict the salt effect constants of five aromatic hydrocabons in the simple ion aqueous salt solution.These results were compared with the calculated results of Debye McAulay(DMT) and Conway Desnogers Smith electrostatic (CDST) theories,Mcdevit Long internal pressure theory(IPT) and modified internal pressure theory(XIPT).It is showed that the new model coincides better with the experimental value.
出处
《广西科学》
CAS
2000年第1期35-37,共3页
Guangxi Sciences
关键词
盐效应
拓扑指数
芳香烃
盐溶液
ks值
salt effect,topology index,aromatic hydrocarbon,simple ion aqueous salt solution
