摘要
本文根据组合原理组成任意的三元代数方程组 ,经过一系列代数变换 ,获得关于二聚体系平衡常数k的一元代数方程 ,用单调函数的性质判定该方程是否有解 ;对有解一元代数方程 ,用对分法等数值计算方法求得二聚体系平衡常数 ,并以拟合误差为判据确定最终二聚体系平衡常数。用本方法计算出的二磺化酞菁和三磺化酞菁的平衡常数分别为 4 7973 4和 30 2 71 8,所得结果优于文献。
The arbitrary trivariate algebraic equations are formed based on the combination principle. The univariata algebraic equation of equilibrium constant kappa for dimerization system is obtained through a series of algebraic transformation, and it depends on the properties of monotonic functions whether the equation is solvable or not. If the equation is solvable, equilibrium constant of dimerization system is obtained by dichotomy and its final equilibrium constant of dimerization system is determined according to the principle of error of fitting. The equilibrium constants of trisulfophthalocyanine and biosulfophthalocyanine obtained with this method are 47 973.4 and 30 271.8 respectively. The results are much better than those reported previously.
出处
《光谱学与光谱分析》
SCIE
EI
CAS
CSCD
北大核心
2002年第3期515-517,共3页
Spectroscopy and Spectral Analysis
基金
四川省教育厅资助项目 (编号 98 1 4 3)
关键词
二聚体系
平衡常数
函数单调性
对分法
拟合误差
磺化金属酞菁
equilibrium constant of dimerization system
monotomicity of function
dichotomy
error of fiiting
