A Microscopic Formulation of the Condensation Coefficient for Molecular Scale Interface Transport Phenomena

Abstract

We are proposing a new formulation on the condensation coefficient of vapor molecule at liquid-vapor interface based on molecular dynamics (MD) studies and transition state theory. The equation is a function of translation energy of incident vapor molecule and surface temperature, which indicates that the condensation probability is not uniform for all incident molecles but is dependent on the kinetic situation during the surface-interaction. The dependence of the condensation coefficient on the translation energy plays an important role in the temperature profiles. The transition state theory gives us the general-expression of the condensation coefficient theoretically and it is found that MD data for argon, water and methanol agree with the theoretical expression very well. We should use the formulation instead of the conventional coefficient giving uniform value.