Two novel ionic-liquid-based binary mixture systems of N,N-diethyl-N-(2-methoxyethyl)-N-methylammonium tetrafluoroborate ([DEME][BF₄]), or N,N-diethyl-N-methyl-N-(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide ([DEME][TFSI]) + γ-butyrolactone (GBL) are prepared over the whole concentration range (mole fraction from 0–1). Some important thermodynamic properties and parameters of the pure ILs and two systems were measured and calculated. The temperature dependences of the transport properties (viscosity and conductivity) were described by the Vogel–Fulcher–Tamman (VFT) equation. The excess molar volumes (V ^E) were obtained from the experimental densities and fitted to Redlich–Kister (R–K) polynomial equation. The DSC analysis, the shifts of the infrared (IR) spectrum, and COSMO–RS methodology based on DFT calculations were combined to explain the interaction information of GBL molecules and cations/anions of the selected systems. The stable optimized structures, interaction energies, and charge distributions were further obtained. Those maybe slight enlighten the application of similar mixture systems in future.

N，N-二乙基-N-（2-甲氧基乙基）-N-甲基四氟硼酸铵（[DEME] [BF ₄ ]）或N，N-二乙基-N-甲基-N-的两种新型的基于离子液体的二元混合物系统在整个浓度范围内（摩尔分数从0至1）制备N-（2-甲氧基乙基）双（三氟甲基磺酰基）亚胺铵（[DEME] [TFSI]）+γ-丁内酯（GBL）。测量和计算了纯净离子液体和两个系统的一些重要的热力学性质和参数。传输特性（粘度和电导率）的温度依赖性由Vogel-Fulcher-Tamman（VFT）方程描述。多余的摩尔体积（V  ^E）是从实验密度中获得的，并拟合到Redlich-Kister（RK）多项式方程式。DSC分析，红外光谱的移动以及基于DFT计算的COSMO-RS方法相结合，以解释所选系统的GBL分子与阳离子/阴离子的相互作用信息。进一步获得了稳定的优化结构，相互作用能和电荷分布。这些可能会稍微启发未来类似混合系统的应用。