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Artículo

Sorption of Sr on Montmorillonite clays: theoretical and experimental study

Díaz de Rosa, Verónica LizIcon ; Gil Rebaza, Arles VíctorIcon ; Montes, María LucianaIcon ; Taylor, Marcela AndreaIcon ; Alonso, Roberto EmilioIcon
Fecha de publicación: 03/2022
Editorial: Elsevier Science
Revista: Applied Surface Science
ISSN: 0169-4332
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Física de los Materiales Condensados

Resumen

Montmorillonite is a clay mineral widely used to remove pollutants from wastewater. The Sr sorption on montmorillonite was analyzed combining an experimental - theoretical approach. Sr sorption on natural and synthetic Na-montmorillonite was studied, characterizing the materials before and after Sr incorporation by X-ray diffraction and Zeta potential. The total specific surface area was also determined. Besides, ab-initio calculations were performed in order to investigate the sorption stability of the clay. The effect of the hydration of Sr atoms and the influence of the van der Waals interaction were evaluated. The experimental results indicated that Sr was sorbed on both, external and internal surfaces and that the total specific surface area seems to be relevant for the sorption process. The increasing in the interlayer space by Sr incorporation was associated with the cationic exchange, the hydration of the Sr atom and the relative humidity. Nuclear magnetic resonance parameters were calculated and compared with the experimental chemical shift and electric field gradient. The calculated Sr-chemical shift corresponds to the range for atomic coordination n = 6. Since there is no experimental data available for the principal component of the electric field gradient at Sr site, the obtained theoretical value stands as a prediction..
Palabras clave: FIRST PRINCIPLES CALCULATIONS , HYPERFINE PARAMETERS , MONTMORILLONITE
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/209508
URL: https://linkinghub.elsevier.com/retrieve/pii/S0169433222007097
DOI: http://dx.doi.org/10.1016/j.apsusc.2022.153146
Colecciones
Articulos(IFLP)
Articulos de INST.DE FISICA LA PLATA
Citación
Díaz de Rosa, Verónica Liz; Gil Rebaza, Arles Víctor; Montes, María Luciana; Taylor, Marcela Andrea; Alonso, Roberto Emilio; Sorption of Sr on Montmorillonite clays: theoretical and experimental study; Elsevier Science; Applied Surface Science; 592; 3-2022; 1-8
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