Liquid-vapor interface of water-methanol mixture. I. Computer simulation

Abstract

Results of molecular dynamics computer simulation are presented for liquid-vapor interface of water-methanol mixture of various compositions at room temperature. The composition dependence of calculated surface tension is typical of aqueous solutions of organic compounds. The outermost surface layer is saturated with methanol even at low bulk concentrations of methanol. The density profile of each component seems oscillatory at some compositions. © 1993 American Institute of Physics.