Molecular kinetic modelling of non-equilibrium evaporative flows

Abstract

Recent years have seen the emergence of new technologies that exploit nanoscale evaporation, ranging from nanoporous membranes for distillation to evaporative cooling in electronics. Despite the increasing depth of fundamental knowledge, there is still a lack of simulation tools capable of capturing the underlying non-equilibrium liquid–vapour phase changes that are critical to these and other such technologies. This work presents a molecular kinetic theory model capable of describing the entire flow field, i.e. the liquid and vapour phases and their interface, while striking a balance between accuracy and computational efficiency. In particular, unlike previous kinetic models based on the isothermal assumption, the proposed model can capture the temperature variations that occur during the evaporation process, yet does not require the computational resources of more complicated mean-field kinetic approaches. We assess the present kinetic model in three test cases: liquid–vapour equilibrium, evaporation into near-vacuum condition, and evaporation into vapour. The results agree well with benchmark solutions, while reducing the simulation time by almost two orders of magnitude on average in the cases studied. The results therefore suggest that this work is a stepping stone towards the development of an accurate and efficient computational approach to optimising the next generation of nanotechnologies based on nanoscale evaporation.