Journal article

Analysis of the Nonrandom Two-Liquid Model for Prediction of Liquid-liquid Equilibria

Zheng Li, Kathryn A Mumford, Yidan Shang, Kathryn H Smith, Jian Chen, Yong Wang, Geoff W Stevens

Journal of Chemical and Engineering Data | AMER CHEMICAL SOC | Published : 2014

Abstract

The structure of solutions of the nonrandom two-liquid (NRTL) model for prediction of liquid-liquid equilibria is investigated in ternary and quaternary systems. We graphically analyze the isoactivity equations of a ternary system and examine the structure of their solutions. Three types of solutions are revealed. In addition, we find that the convexity check of the Gibbs free energy does not always exclude erroneous predictions for either ternary or quaternary systems. Finally, we propose a procedure to identify the correct predictions as well as to investigate the structure of solutions of isoactivity equations, which works effectively for tested ternary and quaternary systems and theoreti..

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Grants

Funding Acknowledgements

Support from the Australian Research Council and the Particulate Fluids Processing Centre is acknowledged. Zheng Li is grateful for financial support from the China Scholarship Council.