Abstract
The study was conducted in order to understand a mechanism of interphase mass transfer between liquid and vapor. The molecular dynamics (MD) simulation is used to examine details of condensation and evaporation from the viewpoint of molecular kinetics. First, molecular boundary conditions for condensing, reflecting, and evaporating molecules are presented for an argon molecule as a function of the surface-normal component of translation energy. The velocity distributions can be expressed by the modified Maxwellian and making use of the condensation coefficient. The condensation coefficient of water is also examined for two kinds of intermolecular potential, the Carravetta-Clementi (C-C) model and the extended simple point charge (SPC/E) model, in order to consider the effect of the surface structure of the liquid on the condensation coefficient. The results indicate that the condensation coefficient of water is close to unity for both models and its dependence on the translation energy is small compared with argon. Finally, the condensation coefficient is studied based on the transition-state theory. An evaluation of the transition state is considered by applying the results of MD simulations for argon and water.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
