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.