High-Throughput Application and Evaluation of the COSMO-SAC Model for Predictions of Liquid--Liquid Equilibria

Key Points

• The COSMO-SAC model effectively predicts liquid-liquid equilibria outcomes, showing high accuracy across various conditions.
• Extensive testing involved an extensive dataset of binary liquid-liquid equilibria, demonstrating reliability.
• Two model variants, COSMO-SAC-2010 and COSMO-SAC-dsp, were rigorously evaluated to understand performance differences.
• Findings support the COSMO-SAC model's application in complex mixtures, suggesting broader chemical engineering uses.