1-(羟乙基)-3-甲基咪唑氯离子液体在na -蒙脱土中的插层效应:结构分析、热、介电行为和分子动力学模拟

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL
Ameur Akermi, Mohamed Belhocine, Fayçal Dergal, Riadh Bourzami, Mohammed Kebir, Abdelkader Ammari, Ahmed Haouzi, Somia Bouktab
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引用次数: 0

摘要

本文报道了离子液体基纳米复合材料的合成及其结构、热学和电学表征。该化合物(M-EtOHmim)采用绿色化学制备,其中有机阳离子交换是通过插入1 -(羟乙基)-3-甲基咪唑氯。结果表明,分子成功地固定在基体中,在高达260℃的温度下具有良好的热稳定性。对吸附机理进行了DFT优化计算。另一方面,电导率分析表明,电荷输运与结构缺陷和热能密切相关。据此,确定相应的电气参数。结果表明,离子液体对蒙脱土的改性显著改变了M-EtOHmim纳米复合材料的物理化学性质,可用于各个领域。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Intercalation Effect of 1-(Hydroxyethyl)-3-methylimidazolium Chloride Ionic Liquid in Na-Montmorillonite: Structural Analysis, Thermal, Dielectric Behavior, and Molecular Dynamics Simulations

Intercalation Effect of 1-(Hydroxyethyl)-3-methylimidazolium Chloride Ionic Liquid in Na-Montmorillonite: Structural Analysis, Thermal, Dielectric Behavior, and Molecular Dynamics Simulations

The present study reports on the synthesis of an ionic liquid-based nanocomposite and its characterization via structural, thermal and electrical analysis. The compound (M-EtOHmim) was prepared using green chemistry, where the organic cations exchange was achieved through the intercalation of 1‑(hydroxyethyl)-3-methylimidazolium chloride. The results showed that the molecules were successfully immobilized in the matrix yielding a good thermal stability up to 260°C. The DFT computation optimization was carried out to identify the adsorption mechanism. On the other hand, the electrical conductivity analysis revealed that charge transport is strongly related to structural defects and thermal energy. Accordingly, the corresponding electrical parameters were determined. It is evident that the modifications of montmorillonite with ionic liquid significantly changes the physicochemical properties of M-EtOHmim nanocomposite, which can be used in various fields.

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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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