关键词: binary water mixtures molecular dynamics time-domain ellipsometry

Mesh : Water / chemistry Alcohols / chemistry Hydrogen Bonding Terahertz Spectroscopy / methods Ethanol / chemistry 2-Propanol / chemistry

来  源:   DOI:10.3390/ijms25084240   PDF(Pubmed)

Abstract:
We report a study on the hydrogen bonding mechanisms of three aliphatic alcohols (2-propanol, methanol, and ethanol) and one diol (ethylene glycol) in water solution using a time-domain ellipsometer in the THz region. The dielectric response of the pure liquids is nicely modeled by the generalized Debye-Lorentz equation. For binary mixtures, we analyze the data using a modified effective Debye model, which considers H-bond rupture and reformation dynamics and the motion of the alkyl chains and of the OH groups. We focus on the properties of the water-rich region, finding anomalous behavior in the absorption properties at very low solute molar concentrations. These results, first observed in the THz region, are in line with previous findings from different experiments and can be explained by taking into account the amphiphilic nature of the alcohol molecules.
摘要:
我们报告了三种脂肪醇(2-丙醇,甲醇,和乙醇)和一种二醇(乙二醇)在水溶液中使用THz区域的时域椭圆计。纯液体的介电响应通过广义Debye-Lorentz方程很好地建模。对于二元混合物,我们使用修改后的有效德拜模型分析数据,考虑了H键的断裂和重整动力学以及烷基链和OH基团的运动。我们关注富水地区的属性,在非常低的溶质摩尔浓度下发现吸收特性的异常行为。这些结果,首先在THz区域观察到,与以前不同实验的发现一致,可以通过考虑醇分子的两亲性来解释。
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