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dc.contributor.author
Montenegro, Andrea Constanza
dc.contributor.author
Orsetti, Silvia
dc.contributor.author
Molina, Fernando Víctor
dc.date.available
2017-12-26T18:56:21Z
dc.date.issued
2014-06
dc.identifier.citation
Orsetti, Silvia; Montenegro, Andrea Constanza; Molina, Fernando Víctor; Modelling proton and metal binding to humic substances with the NICA-EPN model; Csiro Publishing; Environmental Chemistry; 11; 3; 6-2014; 318-332
dc.identifier.issn
1448-2517
dc.identifier.uri
http://hdl.handle.net/11336/31563
dc.description.abstract
The mathematical modelling of metal cation–natural organic matter interactions is a fundamental tool in predicting the state and fate of pollutants in the environment. In this work, the binding of protons and metal cations to humic substances is modelled applying the Elastic Polyelectrolyte Network (EPN) electrostatic model with the Non-Ideal Competitive Adsorption (NICA) isotherm as the intrinsic part (NICA–EPN model). Literature data of proton and metal binding to humic substances at different pH and ionic strength values are analysed, discussing in depth the model predictions. The NICA–EPN model is found to describe well these phenomena. The electrostatic contribution to the Gibbs free energy of adsorbate–humic interaction in the EPN model is lower than that predicted by the Donnan phase model; the intrinsic mean binding constants for protons and metal cations are generally higher, closer to independent estimations and to the range of acid–base and complexation equilibrium values for common carboxylic acids. The results for metal cations are consistent with recent literature findings. The model predicts shrinking of the humic particles with increased metal binding, as a consequence of net charge decrease.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Csiro Publishing
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Humic Substances
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Trace Metals
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Complexation
dc.subject.classification
Otras Ciencias Químicas
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Modelling proton and metal binding to humic substances with the NICA-EPN model
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-12-12T18:49:29Z
dc.journal.volume
11
dc.journal.number
3
dc.journal.pagination
318-332
dc.journal.pais
Australia
dc.description.fil
Fil: Montenegro, Andrea Constanza. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
dc.description.fil
Fil: Orsetti, Silvia. Universität Tübingen; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Molina, Fernando Víctor. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
dc.journal.title
Environmental Chemistry
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.publish.csiro.au/en/EN13214
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1071/EN13214
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