Mass Accommodation Coefficient of Water:  Molecular Dynamics Simulation and Revised Analysis of Droplet Train/Flow Reactor Experiment

The mass accommodation (condensation) coefficient α of water vapor into liquid water was theoretically studied via two complementary approaches: by molecular dynamics (MD) scattering simulation and by computational fluid dynamics simulation of the droplet train/flow reactor experiment. The MD scattering simulation predicts α ∼ 1 at 273 K. The fluid dynamics simulation quantitatively interprets the gaseous resistance in the droplet train flow tube, which demonstrated that the results of the droplet train/flow reactor experiment [Li et al., J. Phys. Chem. A 2001, 105, 10627] are consistent with a value for the water α in the range between 0.2 and 1. Both methods are thus seen to be consistent and provide values for the mass accommodation coefficient of water in the ideal situation free from surface impurities and nonequilibrium latent heat production.