Numerical solution of the nonequilibrium square-gradient model and verification of local equilibrium for the Gibbs surface in a two-phase binary mixture.
In this paper we apply the general analysis described in our first paper to a binary mixture of cyclohexane and n -hexane. We use the square gradient model for the continuous description of a nonequilibrium surface and obtain numerical profiles of various thermodynamic quantities in various stationary state conditions. Details of the numerical procedure are given and discussed. In the second part of this paper we focus on the verification of local equilibrium of the surface as described with excess densities. We give a definition of the temperature and chemical potentials of the surface and verify that these quantities are independent of the choice of the dividing surface. We verify numerically that the surface in a stationary state of the mixture can be described in terms of Gibbs excess densities, which are found to be in good approximation equal to their equilibrium values at the stationary state temperature and chemical potentials of the surface.
Glavatskiy
K S
KS
Department of Chemistry, Norwegian University of Science and Technology, Trondheim, Norway.
Bedeaux
D
D