# Isobaric Molecular Dynamics Study of Liquid Film Boiling

## TL;DR

This paper uses molecular simulations to study how liquid films behave during boiling, focusing on factors like pressure and surface wettability.

## Contribution

A novel boundary force field is developed to simulate boiling in thick liquid films under isobaric conditions.

## Key findings

- The isobaric piston system was validated for simulating liquid and gaseous systems.
- A new boundary force field mimics boundary molecules immersed in liquid pools.
- Interfacial thermal resistance and accommodation coefficient were calculated from liquid film depletion rates.

## Abstract

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.