A reliable procedure to predict salt precipitation in pure phases
Autor(a) principal: | |
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Data de Publicação: | 2010 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Brazilian Journal of Chemical Engineering |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322010000100017 |
Resumo: | This article proposes a new procedure to compute solid-liquid equilibrium in electrolyte systems that may form pure solid phases at a given temperature, pressure, and global composition. The procedure combines three sub-procedures: phase stability test, minimization of the Gibbs free energy with a stoichiometric formulation of the salt-forming reactions to compute phase splitting, and a phase elimination test. After the phase splitting calculation for a system configuration that has a certain number of phases, the phase stability test establishes whether including an additional phase will reduce the Gibbs free energy further. The criteria used for phase stability may lead, in some cases, to the premature inclusion of phases that should be absent from the final solution but, if this happens, the phase elimination sub-procedure removes them. It is possible to use the procedure with several excess Gibbs free energy models for liquid phase behavior. The procedure has proven to be reliable and fast and the results are in good agreement with literature data. |
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Brazilian Journal of Chemical Engineering |
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A reliable procedure to predict salt precipitation in pure phasesThermodynamicsEquilibriumAqueous solutionsSolubilityPrecipitationThis article proposes a new procedure to compute solid-liquid equilibrium in electrolyte systems that may form pure solid phases at a given temperature, pressure, and global composition. The procedure combines three sub-procedures: phase stability test, minimization of the Gibbs free energy with a stoichiometric formulation of the salt-forming reactions to compute phase splitting, and a phase elimination test. After the phase splitting calculation for a system configuration that has a certain number of phases, the phase stability test establishes whether including an additional phase will reduce the Gibbs free energy further. The criteria used for phase stability may lead, in some cases, to the premature inclusion of phases that should be absent from the final solution but, if this happens, the phase elimination sub-procedure removes them. It is possible to use the procedure with several excess Gibbs free energy models for liquid phase behavior. The procedure has proven to be reliable and fast and the results are in good agreement with literature data.Brazilian Society of Chemical Engineering2010-03-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322010000100017Brazilian Journal of Chemical Engineering v.27 n.1 2010reponame:Brazilian Journal of Chemical Engineeringinstname:Associação Brasileira de Engenharia Química (ABEQ)instacron:ABEQ10.1590/S0104-66322010000100017info:eu-repo/semantics/openAccessBeltrão,P. S. O.Cardoso,M. J. E. M.Castier,M.eng2010-04-14T00:00:00Zoai:scielo:S0104-66322010000100017Revistahttps://www.scielo.br/j/bjce/https://old.scielo.br/oai/scielo-oai.phprgiudici@usp.br||rgiudici@usp.br1678-43830104-6632opendoar:2010-04-14T00:00Brazilian Journal of Chemical Engineering - Associação Brasileira de Engenharia Química (ABEQ)false |
dc.title.none.fl_str_mv |
A reliable procedure to predict salt precipitation in pure phases |
title |
A reliable procedure to predict salt precipitation in pure phases |
spellingShingle |
A reliable procedure to predict salt precipitation in pure phases Beltrão,P. S. O. Thermodynamics Equilibrium Aqueous solutions Solubility Precipitation |
title_short |
A reliable procedure to predict salt precipitation in pure phases |
title_full |
A reliable procedure to predict salt precipitation in pure phases |
title_fullStr |
A reliable procedure to predict salt precipitation in pure phases |
title_full_unstemmed |
A reliable procedure to predict salt precipitation in pure phases |
title_sort |
A reliable procedure to predict salt precipitation in pure phases |
author |
Beltrão,P. S. O. |
author_facet |
Beltrão,P. S. O. Cardoso,M. J. E. M. Castier,M. |
author_role |
author |
author2 |
Cardoso,M. J. E. M. Castier,M. |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Beltrão,P. S. O. Cardoso,M. J. E. M. Castier,M. |
dc.subject.por.fl_str_mv |
Thermodynamics Equilibrium Aqueous solutions Solubility Precipitation |
topic |
Thermodynamics Equilibrium Aqueous solutions Solubility Precipitation |
description |
This article proposes a new procedure to compute solid-liquid equilibrium in electrolyte systems that may form pure solid phases at a given temperature, pressure, and global composition. The procedure combines three sub-procedures: phase stability test, minimization of the Gibbs free energy with a stoichiometric formulation of the salt-forming reactions to compute phase splitting, and a phase elimination test. After the phase splitting calculation for a system configuration that has a certain number of phases, the phase stability test establishes whether including an additional phase will reduce the Gibbs free energy further. The criteria used for phase stability may lead, in some cases, to the premature inclusion of phases that should be absent from the final solution but, if this happens, the phase elimination sub-procedure removes them. It is possible to use the procedure with several excess Gibbs free energy models for liquid phase behavior. The procedure has proven to be reliable and fast and the results are in good agreement with literature data. |
publishDate |
2010 |
dc.date.none.fl_str_mv |
2010-03-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322010000100017 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322010000100017 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/S0104-66322010000100017 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Brazilian Society of Chemical Engineering |
publisher.none.fl_str_mv |
Brazilian Society of Chemical Engineering |
dc.source.none.fl_str_mv |
Brazilian Journal of Chemical Engineering v.27 n.1 2010 reponame:Brazilian Journal of Chemical Engineering instname:Associação Brasileira de Engenharia Química (ABEQ) instacron:ABEQ |
instname_str |
Associação Brasileira de Engenharia Química (ABEQ) |
instacron_str |
ABEQ |
institution |
ABEQ |
reponame_str |
Brazilian Journal of Chemical Engineering |
collection |
Brazilian Journal of Chemical Engineering |
repository.name.fl_str_mv |
Brazilian Journal of Chemical Engineering - Associação Brasileira de Engenharia Química (ABEQ) |
repository.mail.fl_str_mv |
rgiudici@usp.br||rgiudici@usp.br |
_version_ |
1754213173103165440 |