Determination of equilibrium states in multi-phase systems

Area of Science:

• Physical Chemistry
• Chemical Engineering
• Thermodynamics

Background:

• Calculating equilibrium states is crucial for multi-phase systems.
• Existing methods often focus on single-phase systems, limiting applicability.
• Accurate volume corrections are essential for multi-phase equilibrium calculations.

Purpose of the Study:

• To describe algorithms for calculating equilibrium states in multi-phase systems.
• To extend equilibrium calculations from one-phase to systems with multiple phases.
• To present applications for determining equilibrium concentrations and constants.

Main Methods:

• Development of algorithms for handling systems with one, two, three, or more phases.
• Application of algorithms to calculate equilibrium concentrations of all species.
• Discussion of methods for determining equilibrium constants from extraction data.

Main Results:

• Algorithms successfully handle multi-phase systems with varying volumes.
• Demonstrated applications for calculating species concentrations in two- and three-phase systems.
• Explored various approaches for equilibrium constant determination.

Conclusions:

• The described algorithms provide a robust method for multi-phase equilibrium calculations.
• The approach is applicable to systems with a diverse number of phases.
• The study offers insights into determining equilibrium constants using extraction data.