分散系介电理论的数值计算方法

Numerical Calculation Method of the Dielectric Theory Models for the Dispersion System

介电谱方法能够对体系非破坏连续监测了解体系有关动力学、结构特征和电的性质 ,在化学研究中发挥着很大的作用。分散系介电理论公式大多是复杂的复数方程 ,解析时繁琐的数学推导、拟合及求解高次方程给介电研究带来很大困难。为了解决上述问题 ,本文利用C ++语言并引入复数类对Maxwell Wagner界面极化理论和Hanai理论的介电解析以及Cole Cole公式的模拟进行了程序化 ,讨论了Hanai理论曲线的影响因素 ;同时把该程序应用于微乳状液及文献中球型分散体系的介电解析 ,结果表明该程序能有效、准确地根据体系的介电参数解析出体系的相参数 ,进一步分析可得到体系的结构特性 。

By analyzing the dielectric relaxation spectroscopy, the inner information of dispersion system can be obtained, such as electric properties, inner structure and kinetic properties. Therefore, dielectric relaxation spectroscopy (DRS) is a important analysis method in chemistry. For this, programming dielectric theory is very important. The dielectric theory formulae for suspension system are mostly high order complex equations. Thus, complicated calculate process make it difficult to analyze the dielectric relaxation spectroscopy of dispersion system by use of the equations.The calculation methods of dispersion system dielectric theory concerning Maxwell Wagner interface polarization theory and Hanai formula were reported in 1960s and the related programs were written with BASIC language by Hanai in 1980s. However, the programs are still imperfect because of their slowly running speed, resulting in low precision. In this paper, improved and intelligentized programs are proposed to increase calculating efficiency and precision of the results. Moreover, the influence factors of dielectric relaxation spectroscopy of dispersion system have been discussed. In addition, the simulation program of Cole Cole equation for interpreting relaxation mechanism of dispersion system has also been finished. All the programs have been written with C++ language and complex class, and they can be run under Windows 98 or Windows NT. The above mentioned programs have been applied to the dielectric analysis of microemulsion system. The result shows that the programs have characters of rapid run and convenience for users. The qualitative and quantitative study of dielectric spectroscopy method has been advanced.