论文标题
一项关于1-烷基-3-甲基咪唑烷氟化离子液体材料分散体的实验和计算研究
An Experimental and Computational Study on Material Dispersion of 1-Alkyl-3-Methylimidazolium Tetrafluoroborate Ionic Liquids
论文作者
论文摘要
[CKMIM] [BF4]（K = 2,3,4,6,7,8,10）的材料分散体在300 nm至1550 nm的宽光谱范围内在几个温度下测量的离子液体家族。实验曲线拟合到修改的三均匀卖方模型中，以了解分散体中温度和烷基链长度的影响。从拟合的参数来看，我们分析了这些离子液体在分散行为中具有不同成分的影响。此外，通过直接比较实验结果，成功地测试了一种半经验方法，该方法结合了模拟的电子极化和预测材料分散的实验密度。根据离子液体的结构分析了该方法的局限性。这项工作的结果旨在增加我们对离子液体结构如何影响其材料分散的认识。了解这种影响对于具有量身定制的光学特性的离子液体至关重要。
The material dispersion of the [Ckmim][BF4] (k = 2,3,4,6,7,8,10) family of ionic liquids is measured at several temperatures over a broad spectral range from 300 nm to 1550 nm. The experimental curves are fitted to a modified three-resonance Sellmeier model to understand the effect of temperature and alkyl chain length in the dispersion. From the parameters of the fitting, we analyze the influence that the different constituents of these ionic liquids have in the dispersion behaviour. In addition, a semi-empirical approach combining simulated electronic polarizabilities and experimental densities for predicting the material dispersion is successfully tested by direct comparison with the experimental results. The limitations of this method are analyzed in terms of the structure of the ionic liquids. The results of this work aim to increase our knowledge about how the structure of an ionic liquid influences its material dispersion. Understanding this influence is fundamental to produce ionic liquids with tailored optical properties.
