Application of COSMO-SAC in Complex Phase Behavior: Vapor–Liquid–Liquid Equilibria

Authored by: Anand Bharti , Debashis Kundu , Dharamashi Rabari , Tamal Banerjee

Phase Equilibria in Ionic Liquid Facilitated Liquid–Liquid Extractions

Print publication date:  March  2017
Online publication date:  March  2017

Print ISBN: 9781498769488
eBook ISBN: 9781315367163
Adobe ISBN:


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An integrated part of chemical engineering is the calculation of phase equilibria. The importance of phase equilibria calculations is realized in designing the process equipment and optimizing separation and purification processes. Phase equilibria involves either homogeneous phases, that is, two liquid phases or heterogeneous phases, for example, liquid with vapor or solid phases. The main objective of these calculations is to recognize the presence of one vapor or liquid, two vapor–liquid or liquid–liquid, or multiple phases. Thus, the knowledge of thermodynamic properties of pure and mixture fluids is absolutely essential to identify these regions. For decades, researchers and process engineers established phase equilibria calculations both experimentally and computationally. Though experimental database are well established for binary and ternary vapor–liquid equilibria (VLE) and liquid–liquid equilibria (LLE), they are time consuming and expensive. Moreover, database is not so strong for complex-phase equilibria processes. The lack of experimental data and the search for a priori prediction motivate researchers to develop thermodynamic models for various chemical and pharmaceutical processes. The modern-day process simulators such as ChemCAD and ASPEN run these models to get a priori phase equilibria. In Chapter 2, we have discussed computation techniques of LLE with three state-of-the-art industrial problems. This chapter aims to provide a detailed analysis of complex-phase behavior involving two liquid phases and one vapor phase simultaneously present, better known as the vapor–liquid–liquid equilibria (VLLE).

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