摘要
在分子拓扑理论的基础上 ,提出了表征非电解质和盐结构特征的新的拓扑指数YX 和YM·YX 和YX 易于计算 ,并有较高的结构区分能力 ,用他们研究了非电解质在盐水溶液中的盐效应常数ks 与其结构之间的关系 研究表明 ,YX 和YM 与非电解在盐水溶液中的盐效应常数ks 有良好的线性关系 ,给出了相关方程。同时计算了ks 的各种理论值 ,并与实验值进行了比较 ,结果表明本文的计算结果最接近实验值 ,新方法计算方便 ,精确度高 ,物理意义明确 。
Based on the molecular topological thoery,we introduce in this paper two new topological index Y X and Y M reflecting nonelectrolyees and salt structural characteristic.The index,which is very easy to calculate and has a good discrimination between isomeric compounds.The relationship between salt effect constant k s of nonelectrolyees in salt solution and its molecular structure has been studied.The researeh indicates that for the salt effect constant k s has a good linear relation with Y X and Y M.The related equation is established.These results are compared with the calculated of Debye McAalay and Conway Desnogers Smith electrostatic theories;Masterton Lee Sealed particle theory,Mcdvit Long intermal pressure theory and modified internal pressure theory.It's verified that the new model coincides with the experimental value.This new method of calculation is convenient,the result is acurate and its physical significance is clear.
出处
《贵州师范大学学报（自然科学版）》
CAS
2001年第2期27-32,共6页
Journal of Guizhou Normal University：Natural Sciences
