Departamento de Física, Universidad Nacional de Tucumán, Avenida Independencia 1800, 4000 San Miguel de Tucumán, Argentina; Consejo Nacional de Investigaciones Científicas y Técnicas, Avenida Rivadavia 1917, 1033 Buenos Aires, Argentina.
J Colloid Interface Sci. 2014 Apr 1;419:102-6. doi: 10.1016/j.jcis.2013.12.031. Epub 2013 Dec 23.
The description and interpretation of dielectric spectroscopy data usually require the use of analytical functions, which include unknown parameters that must be determined iteratively by means of a fitting procedure. This is not a trivial task and much effort has been spent to find the best way to accomplish it. While the theoretical approach based on the Levenberg-Marquardt algorithm is well known, no freely available program specifically adapted to the dielectric spectroscopy problem exists to the best of our knowledge. Moreover, even the more general commercial packages usually fail on the following aspects: (1) allow to keep temporarily fixed some of the parameters, (2) allow to freely specify the uncertainty values for each data point, (3) check that parameter values fall within prescribed bounds during the fitting process, and (4) allow to fit either the real, or the imaginary, or simultaneously both parts of the complex permittivity. A program that satisfies all these requirements and allows fitting any superposition of the Debye, Cole-Cole, Cole-Davidson, and Havriliak-Negami dispersions plus a conductivity term to measured dielectric spectroscopy data is presented. It is available on request from the author.
介电谱数据的描述和解释通常需要使用分析函数,其中包括必须通过拟合过程迭代确定的未知参数。这不是一项简单的任务,已经付出了很多努力来寻找最佳的实现方法。虽然基于 Levenberg-Marquardt 算法的理论方法是众所周知的,但据我们所知,没有专门针对介电谱问题的免费可用程序。此外,即使是更通用的商业软件包通常也存在以下问题:(1)允许暂时固定一些参数,(2)允许自由指定每个数据点的不确定度值,(3)在拟合过程中检查参数值是否在规定范围内,以及 (4)允许拟合复介电常数的实部、虚部或同时拟合两者。本文提出了一个满足所有这些要求的程序,可以拟合任何德拜、科尔-科尔、科尔-戴维森和哈夫利拉克-内加米色散的叠加以及电导率项到测量的介电谱数据。有需要的话可以向作者索取。