Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption

Detalhes bibliográficos
Autor(a) principal: Marchi,Giuliano
Data de Publicação: 2015
Outros Autores: Vilar,Cesar Crispim, O’Connor,George, Oliveira,Letuzia Maria de, Reatto,Adriana, Rein,Thomaz Adolph
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Revista Brasileira de Ciência do Solo (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-06832015000501395
Resumo: ABSTRACT Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.
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spelling Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorptionintrinsic equilibrium constantsOxisolFITEQLVisual MINTEQchemical equilibrium softwareABSTRACT Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.Sociedade Brasileira de Ciência do Solo2015-10-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-06832015000501395Revista Brasileira de Ciência do Solo v.39 n.5 2015reponame:Revista Brasileira de Ciência do Solo (Online)instname:Sociedade Brasileira de Ciência do Solo (SBCS)instacron:SBCS10.1590/01000683rbcs20140529info:eu-repo/semantics/openAccessMarchi,GiulianoVilar,Cesar CrispimO’Connor,GeorgeOliveira,Letuzia Maria deReatto,AdrianaRein,Thomaz Adolpheng2015-12-04T00:00:00Zoai:scielo:S0100-06832015000501395Revistahttp://www.scielo.br/scielo.php?script=sci_serial&pid=0100-0683&lng=es&nrm=isohttps://old.scielo.br/oai/scielo-oai.php||sbcs@ufv.br1806-96570100-0683opendoar:2015-12-04T00:00Revista Brasileira de Ciência do Solo (Online) - Sociedade Brasileira de Ciência do Solo (SBCS)false
dc.title.none.fl_str_mv Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
title Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
spellingShingle Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
Marchi,Giuliano
intrinsic equilibrium constants
Oxisol
FITEQL
Visual MINTEQ
chemical equilibrium software
title_short Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
title_full Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
title_fullStr Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
title_full_unstemmed Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
title_sort Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption
author Marchi,Giuliano
author_facet Marchi,Giuliano
Vilar,Cesar Crispim
O’Connor,George
Oliveira,Letuzia Maria de
Reatto,Adriana
Rein,Thomaz Adolph
author_role author
author2 Vilar,Cesar Crispim
O’Connor,George
Oliveira,Letuzia Maria de
Reatto,Adriana
Rein,Thomaz Adolph
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Marchi,Giuliano
Vilar,Cesar Crispim
O’Connor,George
Oliveira,Letuzia Maria de
Reatto,Adriana
Rein,Thomaz Adolph
dc.subject.por.fl_str_mv intrinsic equilibrium constants
Oxisol
FITEQL
Visual MINTEQ
chemical equilibrium software
topic intrinsic equilibrium constants
Oxisol
FITEQL
Visual MINTEQ
chemical equilibrium software
description ABSTRACT Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.
publishDate 2015
dc.date.none.fl_str_mv 2015-10-01
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=S0100-06832015000501395
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-06832015000501395
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/01000683rbcs20140529
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 Sociedade Brasileira de Ciência do Solo
publisher.none.fl_str_mv Sociedade Brasileira de Ciência do Solo
dc.source.none.fl_str_mv Revista Brasileira de Ciência do Solo v.39 n.5 2015
reponame:Revista Brasileira de Ciência do Solo (Online)
instname:Sociedade Brasileira de Ciência do Solo (SBCS)
instacron:SBCS
instname_str Sociedade Brasileira de Ciência do Solo (SBCS)
instacron_str SBCS
institution SBCS
reponame_str Revista Brasileira de Ciência do Solo (Online)
collection Revista Brasileira de Ciência do Solo (Online)
repository.name.fl_str_mv Revista Brasileira de Ciência do Solo (Online) - Sociedade Brasileira de Ciência do Solo (SBCS)
repository.mail.fl_str_mv ||sbcs@ufv.br
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