Isobaric Molecular Dynamics Study of Liquid Film Boiling
Avik Saha, Omar K. Matar
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.
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.
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Taxonomy
TopicsHeat Transfer and Boiling Studies · Spacecraft and Cryogenic Technologies · Fluid Dynamics and Thin Films