Molecular simulations of droplet evaporation by heat transfer

Abstract

Droplet evaporation by heat transfer is investigated by molecular dynamics simulations for a pure Lennard-Jones fluid. Two different initial conditions are treated: (1) a droplet surrounded by its vapor in equilibrium, (2) a cold droplet surrounded by warm vapor. In both cases heat is transferred from a heat bath. Results are the numbers of droplet molecules N d and density, drift velocity, and temperature profiles as functions of time. For the small droplets considered N d depends on the definition of a droplet molecule. The density profiles as function of time show a transition from a droplet with liquid–vapor interface to a cluster of interfacial type and finally to the gas state. The temperature at a given time is nearly constant within the droplets or clusters but strong gradients occur in the gas. In case of evaporation of a cold droplet surrounded by warm vapor we observed initially cooling down of the droplet corresponding to pressure jump evaporation and thereafter slower evaporation because of lower initial state vapor density.