Abstract Tricyanomethanide-based ionic liquids (ILs) are, probably, the most interesting ILs for separation purposes considering their low viscosity and high thermal stability, but mainly due to their enhanced performance in a wide number of applications. However, the scarce high pressure density data (ρpT) limits the development of robust models for process simulation implementation and consequently process development. In this work, high pressure density data of 1-ethyl-3-methylimidazolium tricyanomethanide ([C2C1im][TCM]) and 1-butyl-4-methylpyridinium tricyanomethanide ([4-C4C1py][TCM]) are reported in a wide range of temperature (283–363) K and pressure (0.1–95) MPa. The new ρpT data and its derivative properties, namely isothermal compressibility (kT) and isobaric thermal expansivity (αP), of the studied ILs and that reported for the 1-butyl-3-methylimidazolium tricyanomethanide ([C4C1im][TCM]), were successfully modelled using the Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT). New molecular parameters for the tricyanomethanide-based ILs are here proposed allowing a good description of the studied properties while assessing the well-known non-volatile character of the ILs.

中文翻译：

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基于三氰基甲烷的离子液体的高压密度：实验和 PC-SAFT 建模

摘要 基于三氰基甲烷的离子液体 (ILs) 可能是最受关注的用于分离目的的离子液体，因为它们具有低粘度和高热稳定性，但主要是由于它们在广泛的应用中具有增强的性能。然而，稀缺的高压密度数据 (ρpT) 限制了用于过程模拟实施和过程开发的稳健模型的开发。在这项工作中，1-乙基-3-甲基咪唑鎓三氰化物（[C2C1im][TCM]）和1-丁基-4-甲基吡啶鎓三氰化物（[4-C4C1py][TCM]）的高压密度数据被广泛报道温度 (283–363) K 和压力 (0.1–95) MPa。新的 ρpT 数据及其衍生属性，即等温压缩率 (kT) 和等压热膨胀率 (αP)，使用扰动链统计关联流体理论 (PC-SAFT) 成功模拟了研究的 IL 和 1-丁基-3-甲基咪唑鎓三氰基甲烷化物 ([C4C1im][TCM])。这里提出了基于三氰基甲烷的 IL 的新分子参数，可以很好地描述所研究的特性，同时评估 IL 众所周知的非挥发性特征。