The selection of the extractant is an important consideration for the design of liquid–liquid extraction processes. Researchers are paying more attention to a priori predictions of liquid–liquid equilibria. The predictive and fully open-source thermodynamic model COSMO-SAC (conductor-like screening model-segment activity coefficient) uses quantum chemical calculations for calculating activity coefficients and thermodynamic properties. Through a brief review of the recent advances of COSMO-SAC in predicting liquid–liquid equilibrium of ionic liquid systems, this work assessed the accuracy of prediction for different chemical family combinations and generated directions for future improvement.

中文翻译：

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COSMO-SAC模型对含离子液体三元体系液-液平衡预测的简要回顾

萃取剂的选择是设计液-液萃取工艺的一个重要考虑因素。研究人员更加关注液-液平衡的先验预测。预测性和完全开源的热力学模型 COSMO-SAC（类导体筛选模型-段活度系数）使用量子化学计算来计算活度系数和热力学性质。通过简要回顾 COSMO-SAC 在预测离子液体系统液-液平衡方面的最新进展，这项工作评估了不同化学家族组合的预测准确性，并提出了未来改进的方向。