Isobaric Molecular Dynamics Study of Liquid Film Boiling

Area of Science:

• Thermodynamics
• Fluid Dynamics
• Materials Science

Background:

• Understanding boiling heat transfer is crucial for efficient thermal management in various industrial applications.
• Molecular dynamics simulations offer a powerful tool to investigate nanoscale phenomena in boiling.
• Existing simulation methods require refinement to accurately capture the complex behavior of liquid films during boiling.

Purpose of the Study:

• To analyze the liquid film dynamics beneath nucleating bubbles using piston-based isobaric molecular dynamics simulations.
• To evaluate the suitability of different force fields for simulating boiling phenomena.
• To investigate the influence of surface wettability and pressure on nonevaporating films and develop a novel boundary force field for simulating boiling in thick liquid films.

Main Methods:

• Employed piston-based isobaric molecular dynamics simulations.
• Validated the isobaric piston system across diverse liquid and gaseous systems.
• Applied Lennard-Jones (L-J) and repulsive-only force fields, alongside a novel boundary force field.

Main Results:

• The study successfully validated the isobaric piston system for molecular dynamics simulations of boiling.
• Investigated the effects of surface wettability and pressure on nonevaporating liquid films.
• Developed and applied a novel boundary force field to simulate boiling in thick liquid films.

Conclusions:

• The developed simulation framework provides valuable insights into the fundamental mechanisms of boiling.
• Calculated interfacial thermal resistance and accommodation coefficients based on liquid film depletion rates.
• The findings contribute to a deeper understanding of heat transfer phenomena at the liquid-vapor interface during boiling.