抄録
Molecular dynamics computer simulation technique has been applied to investigate fluid phase change mechanisms near vapor-liquid interfaces. The simulation enables us to estimate the most relevant parameter, condensation coefficient αc, which is the ratio of condensation flux to vapor collision flux. We found: (i) αc is less than unity even for simple fluids, and αc of associating fluids is much less than that. (ii) There is a strong temperature dependence of αc. (iii) Under the nonequilibrium condition, αc depends also on the density (or pressure) and the temperature of the vapor. A simple evaporation model based on a transition state theory can explain this behavior to some extent. As related topics, molecular dynamics of nucleation processes is also described.
