Molecular simulations of droplet evaporation processes: Adiabatic pressure jump evaporation

Abstract

For the assessment of droplet evaporation by molecular dynamics simulations prescriptions for the calculation of the time dependent number of droplet particles and of several space and time dependent hydrodynamic quantities like density, drift velocity and temperature are given. Then two cases of adiabatic pressure jump evaporation are treated by molecular simulations using a Lennard-Jones potential. First, a droplet wrapped by its vapour, and second, a bare droplet is brought into vacuum. In both cases evaporation takes place and after a transition process a new droplet-vapour equilibrium is reached at lower temperature. Results are presented for the space and time dependent hydrodynamic quantities as well as for the number of droplet particles as function of time.