Selection of Aqueous Two‐Phase Solvent Systems in CCC

Abstract

Based on the theoretical models, including the electrolyte solution model and modified UNIFAC equation, program design for prediction of liquid–liquid equilibrium of two kinds of aqueous two‐phase systems (ATPSs), including PEG/K₂HPO₄ and PEG/(NH₄)₂SO₄, is realized by using Visual Basic. The density calculation formula is an experimental one, resulting from the regression of many experimental data. In this program, according to thermodynamic criterion, it is determined whether there is a phase split in a solvent system with known total composition. If there is, the molar compositions, the mass compositions, and the volume of both phases are calculated. Results have been proven experimentally and by comparison with literature data. It is estimated that the program can shorten the experimental time and lead to the separation of substances such as proteins with ATPSs in countercurrent chromatography.

Keywords:

• Aqueous two‐phase solvent system
• Solvent selection
• Countercurrent chromatography
• Computer prediction
• Modeling