Direct numerical simulation of sublimating ice particles

Abstract

A thermodynamically consistent numerical framework for the simulation of three-dimensional sublimation processes of ice at temperatures below the triple point and low pressure is presented. To this end, a novel description of the local thermodynamic equilibrium of frozen water (ice) and a mixture of water vapour and an inert gas is derived, where anisotropic surface energy densities can be considered. A new correlation for the diffusion coefficient of water vapour in nitrogen is proposed based on equilibrium molecular dynamics simulations. The simulation results are in excellent agreement with experimentally obtained sublimation rates.