Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration

ABSTRACT Intrinsic equilibrium constants of 17 representative Brazilian Oxisols were estimated from potentiometric titration measuring the adsorption of H+ and OH− on amphoteric surfaces in suspensions of varying ionic strength. Equilibrium constants were fitted to two surface complexation models: d...

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Main Authors: Giuliano Marchi, Cesar Crispim Vilar, George O’Connor, Marx Leandro Naves Silva
Format: Article
Language:English
Published: Sociedade Brasileira de Ciência do Solo 2015-10-01
Series:Revista Brasileira de Ciência do Solo
Subjects:
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-06832015000501387&lng=en&tlng=en
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spelling doaj-458eb4c2565a431ca6a83f894e7f44572021-01-02T00:35:52ZengSociedade Brasileira de Ciência do SoloRevista Brasileira de Ciência do Solo1806-96572015-10-013951387139410.1590/01000683rbcs20140528S0100-06832015000501387Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric TitrationGiuliano MarchiCesar Crispim VilarGeorge O’ConnorMarx Leandro Naves SilvaABSTRACT Intrinsic equilibrium constants of 17 representative Brazilian Oxisols were estimated from potentiometric titration measuring the adsorption of H+ and OH− on amphoteric surfaces in suspensions of varying ionic strength. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. The former was fitted by calculating total site concentration from curve fitting estimates and pH-extrapolation of the intrinsic equilibrium constants to the PZNPC (hand calculation), considering one and two reactive sites, and by the FITEQL software. The latter was fitted only by FITEQL, with one reactive site. Soil chemical and physical properties were correlated to the intrinsic equilibrium constants. Both surface complexation models satisfactorily fit our experimental data, but for results at low ionic strength, optimization did not converge in FITEQL. Data were incorporated in Visual MINTEQ and they provide a modeling system that can predict protonation-dissociation reactions in the soil surface under changing environmental conditions.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-06832015000501387&lng=en&tlng=enconstantes de equilíbrio intrínsecasLatossolosFITEQLVisual MINTEQprograma de equilíbrio químico
collection DOAJ
language English
format Article
sources DOAJ
author Giuliano Marchi
Cesar Crispim Vilar
George O’Connor
Marx Leandro Naves Silva
spellingShingle Giuliano Marchi
Cesar Crispim Vilar
George O’Connor
Marx Leandro Naves Silva
Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration
Revista Brasileira de Ciência do Solo
constantes de equilíbrio intrínsecas
Latossolos
FITEQL
Visual MINTEQ
programa de equilíbrio químico
author_facet Giuliano Marchi
Cesar Crispim Vilar
George O’Connor
Marx Leandro Naves Silva
author_sort Giuliano Marchi
title Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration
title_short Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration
title_full Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration
title_fullStr Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration
title_full_unstemmed Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration
title_sort surface complexation modeling in variable charge soils: charge characterization by potentiometric titration
publisher Sociedade Brasileira de Ciência do Solo
series Revista Brasileira de Ciência do Solo
issn 1806-9657
publishDate 2015-10-01
description ABSTRACT Intrinsic equilibrium constants of 17 representative Brazilian Oxisols were estimated from potentiometric titration measuring the adsorption of H+ and OH− on amphoteric surfaces in suspensions of varying ionic strength. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. The former was fitted by calculating total site concentration from curve fitting estimates and pH-extrapolation of the intrinsic equilibrium constants to the PZNPC (hand calculation), considering one and two reactive sites, and by the FITEQL software. The latter was fitted only by FITEQL, with one reactive site. Soil chemical and physical properties were correlated to the intrinsic equilibrium constants. Both surface complexation models satisfactorily fit our experimental data, but for results at low ionic strength, optimization did not converge in FITEQL. Data were incorporated in Visual MINTEQ and they provide a modeling system that can predict protonation-dissociation reactions in the soil surface under changing environmental conditions.
topic constantes de equilíbrio intrínsecas
Latossolos
FITEQL
Visual MINTEQ
programa de equilíbrio químico
url http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-06832015000501387&lng=en&tlng=en
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AT cesarcrispimvilar surfacecomplexationmodelinginvariablechargesoilschargecharacterizationbypotentiometrictitration
AT georgeoconnor surfacecomplexationmodelinginvariablechargesoilschargecharacterizationbypotentiometrictitration
AT marxleandronavessilva surfacecomplexationmodelinginvariablechargesoilschargecharacterizationbypotentiometrictitration
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