Simulation studies of phase inversion in agitated vessels using a Monte Carlo technique

Area of Science:

• Chemical Engineering
• Physical Chemistry
• Computational Modeling

Background:

• Phase inversion in agitated liquid-liquid dispersions is a critical phenomenon in chemical processes.
• Understanding the conditions governing phase inversion is essential for process optimization and control.
• Existing models may not fully capture the complex interplay of physical forces during phase inversion.

Purpose of the Study:

• To develop and validate a stochastic model for predicting phase inversion in agitated liquid-liquid systems.
• To investigate the influence of physical parameters (density, viscosity, agitation speed) on phase inversion.
• To establish interfacial energy minimization as a criterion for phase inversion.

Main Methods:

• Utilized a Monte Carlo technique employing a stochastic model.
• Simulated fundamental physical processes: drop deformation, breakup, and coalescence.
• Employed minimization of interfacial energy as the phase inversion criterion.

Main Results:

• Phase inversion holdup increases with density and viscosity ratios.
• Phase inversion holdup decreases with increasing agitation speed.
• Model predictions showed qualitative agreement with experimental trends and key features.

Conclusions:

• The stochastic model provides a robust framework for understanding and predicting phase inversion.
• The model's insensitivity to initial conditions suggests its reliability.
• This approach offers a foundation for developing more sophisticated phase inversion prediction models.