【摘 要】
：
Influence of structural variations of N-vinylimidazolium tetrahalogenidoferrate (III) magnetic ionic liquids (MILs) on thermal properties was investigated. Using Gaussian09/B3PW91/6-311G (2d, p) density functional methods, the microstructure of the MILs w
【机 构】
：
College of Pharmaceutical Science, Xi’an Medical University, Xi’an 710021, China;Institute of Medici
【出 处】
：
武汉理工大学学报（材料科学版）（英文版）
论文部分内容阅读
Influence of structural variations of N-vinylimidazolium tetrahalogenidoferrate (III) magnetic ionic liquids (MILs) on thermal properties was investigated. Using Gaussian09/B3PW91/6-311G (2d, p) density functional methods, the microstructure of the MILs were analyzed. With differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA), the thermal properties of the MILs were performed. The results showed that the interaction energies of ion pairs decreased, the crystallization temperature increased first and then decreased, and the surfusion first decreased and then increased with the elongation of the alkyl chain length on cation; with the increase of Br atom, the interaction energies of ion pairs increased; the interaction energies of ion pairs increased in the MILs with the same cation or anion, the nature of polarity of MILs increased and the melting point rose; as the cation or anion in MILs had a smaller size, it could have the solid-solid transition temperature. The results indicated that the decomposition temperature with the same type of MILs increased with the interaction energies of ion pairs. The interaction energy of ion pairs can be used to illuminate the correlation between the thermal properties and the structure of MILs. ILs possesses the properties of macromolecular.
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