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Numerical solution and verification of the local equilibrium for the flat interface in the two-phase binary mixture

2008/12/23 by K. S. Glavatskiy, Dick Bedeaux, Glavatskiy, K. S. +2
Chemistry · Earth and Planetary Sciences · Engineering · Mathematics · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Binary number #Chemical equilibrium #Chemistry #Cyclohexane #FOS: Physical sciences #Focus (optics) #Geometry #Gibbs isotherm #Mathematics #Optics #Phase (matter) #Phase Equilibria and Thermodynamics #Phase equilibrium #Physics #Quantum mechanics #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech) #Statistical physics #Surface (topology) #Surface tension #Thermodynamic equilibrium #Thermodynamics #cond-mat.soft #cond-mat.stat-mech #nanoparticles nucleation surface interactions

paper · pdf · doi:10.48550/arxiv.0812.4386

published in arXiv (Cornell University) (Cornell University) · 25 pages, 13 figures, 11 tables

arxiv created 2008/12/23 · openalex publication_date 2008/12/23 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

In this paper we first 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 non-equilibrium surface and obtain numerical profiles of various thermodynamic quantities in various stationary state conditions. In the second part of this paper we focus on the verification of local equilibrium of the surface as described with excess quantities. We give a definition of the temperature and chemical potential difference for the surface and verify that these quantities are independent of the choice of the dividing surface. We verify that the non-equilibrium surface can be described in terms of Gibbs excess densities which are in good approximation equal to their equilibrium values at the temperature and chemical potential difference of the surface.

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