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Charge transport and glassy dynamics in a room temperature ionic liquid-[BMPyr][TFSI]

机译:室温离子液体 - [BMPYR] [TFSI]的电荷运输和玻璃状动态

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摘要

In this paper, thermal and spectroscopic investigations on a room temperature ionic liquid, 1-Butyl-1-methyl pyrrolidinium bis(trifluoromethylsulfonyl)imide ([BMPyr][TFSI]) were carried out using differential scanning calorimetry and broadband dielectric spectroscopy over wide temperature to study the molecular mobility, charge transport properties, and conductivity relaxation. The quantum mechanical calculations were used to study its polar nature. The isochronal cooling and heating were measured to get an estimation of the glass transition temperature. The study revealed that [BMPyr][TFSI] is an intermediate fragile system with a fragility index of 96.3 and T-g around 182 K. A strong translational-rotation coupling of the [BMPyr][TFSI] molecules were observed in the glassy state due to intermolecular Johari Goldstein relaxation. It showed an excellent agreement with the coupling model predictions. The conductivity behavior of [BMPyr][TFSI] follows Johncher's power law, and its temperature dependence well fits with the Arrhenius equation having an activation energy of 686.3 kJ/mol. The glass transition temperature obtained from DSC, isochronal cooling data and heating data were in good agreement.
机译:在本文中,在室温离子液体,1-丁基-1-甲基吡咯烷鎓双(三氟甲基磺酰基)酰亚胺(三氟甲基磺酰基)酰亚胺([BMPYR] [TFSI])上使用差示扫描量热法和宽带介电光谱进行热量和光谱研究研究分子迁移率,电荷传输性能和电导率松弛。量子力学计算用于研究其极性性质。测量同胞影式冷却和加热以获得玻璃化转变温度的估计。该研究表明,[BMPYR] [TFSI]是一种中间易碎系统,其脆性指数为96.3和TG约182k.由于分子间约翰里戈尔斯坦放松。它显示出与耦合模型预测的一致意见。 [BMPyr] [TFSI]的电导率行为遵循Johncher的权力法,其温度依赖性符合具有686.3kJ / mol的激活能量的Arrhenius方程。从DSC,同步冷却数据和加热数据获得的玻璃化转变温度非常一致。

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