Isobaric Molecular Dynamics Study of Liquid Film Boiling

This study employs piston-based isobaric molecular dynamics simulations to analyze the liquid film beneath nucleating bubbles. The isobaric piston system is validated across different liquid and gaseous systems, and the Lennard-Jones (L-J) and repulsive-only force fields are applied to evaluate their suitability for boiling simulations. Using this system, the effects of surface wettability and pressure on nonevaporating films are explored. Additionally, a novel boundary force field is developed to mimic the behavior of boundary molecules fully immersed in the liquid pool, enabling the simulation of boiling in a thick liquid film. The interfacial thermal resistance and accommodation coefficient are calculated based on the measured depletion rate of the liquid film with different thicknesses, providing valuable insights into the fundamental mechanisms of boiling.