Abstract

This study mathematically models the solubility of hydrogen sulfide in ten ionic liquids including 1-(2-hydroxyethyl)-3-imidazolium [Hoemim]⁺ with three different anions, 1-ethyl-3-methylimidazolium [emim]⁺ with two different anions, 1-hexyl-3-methylimidazolium [hmim]⁺ with two different anions, and 1-butyl-3-methylimidazolium [bmim]⁺ with three different anions. The modeling was performed by van der Waals (vdW) equation of state as a φ-φ approach in which the modified van der Waals–Berthelot mixing rule is used. The critical properties of ionic liquids have been estimated by a group of supplementary methods suggested by Valderrama and Robles, known as the modified Lyderson–Joback–Reid method. It is concluded that since the absolute average relative deviation is less than 1%, the developed model has a high accuracy.

中文翻译：

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使用范德华状态方程模拟硫化氢在离子液体中的溶解度

摘要

这项研究以数学方式模拟了硫化氢在十种离子液体中的溶解度，这些离子液体包括具有三种不同阴离子的1-（2-羟乙基）-3-咪唑鎓[Hoemim] ⁺，具有两种不同阴离子的1-乙基-3-甲基咪唑鎓[emim] ⁺，具有两个不同阴离子的1-己基-3-甲基咪唑鎓[hmim] ⁺和1-丁基-3-甲基咪唑鎓[bmim] ⁺与三种不同的阴离子。通过使用范德华斯（vdW）状态方程作为φ-φ方法进行建模，其中使用了改良的范德华斯-贝特洛特混合规则。离子液体的关键性质已通过Valderrama和Robles建议的一组补充方法进行了评估，这些方法被称为改良的Lyderson-Joback-Reid方法。结论是，由于绝对平均相对偏差小于1％，因此开发的模型具有较高的准确性。