The Rachford-Rice equation: application to ternary diagram

Ternary phase diagrams in liquid-liquid equilibrium, for the water-ethanol-ethyl acetate system, were calculated and the results presented in rectangular and triangular diagrams. Initially, the thermodynamical background and the conditions of equilibrium are presented, involving the equality of acti...

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Main Authors: Éderson D’Martin Costa, João Pedro Braga
Format: Article
Language:Portuguese
Published: Sociedade Brasileira de Física 2024-04-01
Series:Revista Brasileira de Ensino de Física
Subjects:
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1806-11172024000100422&lng=en&tlng=en
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author Éderson D’Martin Costa
João Pedro Braga
author_facet Éderson D’Martin Costa
João Pedro Braga
author_sort Éderson D’Martin Costa
collection DOAJ
description Ternary phase diagrams in liquid-liquid equilibrium, for the water-ethanol-ethyl acetate system, were calculated and the results presented in rectangular and triangular diagrams. Initially, the thermodynamical background and the conditions of equilibrium are presented, involving the equality of activities and the mass balance condition. From this system of equations, the Rachford-Rice equation is deduced, transforming the problem of eight equations into a problem of one equation with one unknown. The Non-Random-Two-Liquid model was adopted to calculate activity coefficients, but other models can be easily adapted. An algorithm is presented to calculate the equilibrium compositions of this ternary system, together with numerical results. The theoretical-experimental comparison is in fair agreement, showing the robustness and simplicity of the Rachford-Rice equations. The material presented here is accessible to undergraduate students.
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spelling doaj.art-182b3d5b313d4e8b92c908163e4e62ca2024-04-16T07:41:15ZporSociedade Brasileira de FísicaRevista Brasileira de Ensino de Física1806-91262024-04-014610.1590/1806-9126-rbef-2024-0077The Rachford-Rice equation: application to ternary diagramÉderson D’Martin Costahttps://orcid.org/0000-0001-8623-4745João Pedro Bragahttps://orcid.org/0000-0002-2869-7079Ternary phase diagrams in liquid-liquid equilibrium, for the water-ethanol-ethyl acetate system, were calculated and the results presented in rectangular and triangular diagrams. Initially, the thermodynamical background and the conditions of equilibrium are presented, involving the equality of activities and the mass balance condition. From this system of equations, the Rachford-Rice equation is deduced, transforming the problem of eight equations into a problem of one equation with one unknown. The Non-Random-Two-Liquid model was adopted to calculate activity coefficients, but other models can be easily adapted. An algorithm is presented to calculate the equilibrium compositions of this ternary system, together with numerical results. The theoretical-experimental comparison is in fair agreement, showing the robustness and simplicity of the Rachford-Rice equations. The material presented here is accessible to undergraduate students.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1806-11172024000100422&lng=en&tlng=enRachford-Riceternary systemliquid-liquid equilibrium
spellingShingle Éderson D’Martin Costa
João Pedro Braga
The Rachford-Rice equation: application to ternary diagram
Revista Brasileira de Ensino de Física
Rachford-Rice
ternary system
liquid-liquid equilibrium
title The Rachford-Rice equation: application to ternary diagram
title_full The Rachford-Rice equation: application to ternary diagram
title_fullStr The Rachford-Rice equation: application to ternary diagram
title_full_unstemmed The Rachford-Rice equation: application to ternary diagram
title_short The Rachford-Rice equation: application to ternary diagram
title_sort rachford rice equation application to ternary diagram
topic Rachford-Rice
ternary system
liquid-liquid equilibrium
url http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1806-11172024000100422&lng=en&tlng=en
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