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    Rights statement: This is the author’s version of a work that was accepted for publication in Journal of Environmental Radioactivity . Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Environmental Radioactivity, 225, 2020 DOI: 10.1016/j.jenvrad.2020.106408

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Simulating uranium sorption onto inorganic particles: The effect of redox potential

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Simulating uranium sorption onto inorganic particles : The effect of redox potential. / Degueldre, C.; McGowan, S.

In: Journal of Environmental Radioactivity, Vol. 225, 106408, 01.12.2020.

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Degueldre, C. ; McGowan, S. / Simulating uranium sorption onto inorganic particles : The effect of redox potential. In: Journal of Environmental Radioactivity. 2020 ; Vol. 225.

Bibtex

@article{5496918325b44d85bdb77ad1ba147933,
title = "Simulating uranium sorption onto inorganic particles: The effect of redox potential",
abstract = "An analytical expression is proposed to simulate the effects of pH and redox potential (E) on the sorption of uranium onto model inorganic particles in aquatic environments instead of following an experimental approach providing a list of empirical sorption data. The expression provides a distribution coefficient (Kd) as function of pH, E and ligand concentration (complex formation) applying a surface complexation model on one type of surface sites (>SuOH). The formulation makes use of the complexation and hydrolysis constants for all species in solution and those sorbed at the surface, using correlations between hydrolysis constants and surface complexation constants, for the specific sorption sites. The model was applied for the sorption of uranium onto aluminol, iron hydroxide and silanol sites, mimicking respectively {\textquoteleft}clean{\textquoteright} clay or {\textquoteleft}dirty{\textquoteright} clay and {\textquoteleft}clean{\textquoteright} sand or {\textquoteleft}dirty{\textquoteright} sand ({\textquoteleft}dirty{\textquoteright} referring to iron hydroxide contaminated), in absence or presence of carbonates in solution. The calculated distribution coefficients are very sensitive with the presence or absence of carbonates. The Kd values obtained by applying the model are compared with values reported in the literature for the sorption of uranium onto specific adsorbents. It is known that in surface water, U(VI) and its hydroxides are the primary stable species usually observed. However, reduction to U(IV) is possible and may be simulated during sorption or when the redox potential (E) decreases. Similar simulations are also applicable to study the sorption of other redox sensitive elements. ",
keywords = "Distribution coefficient, Redox potential, Surface complexation, Uranium sorption, Biogeochemistry, Carbonates, Hydrolysis, Redox reactions, Sorption, Surface waters, Analytical expressions, Aquatic environments, Experimental approaches, Hydrolysis constant, Ligand concentration, Surface complexation modeling, Iron compounds",
author = "C. Degueldre and S. McGowan",
note = "This is the author{\textquoteright}s version of a work that was accepted for publication in Journal of Environmental Radioactivity . Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Environmental Radioactivity, 225, 2020 DOI: 10.1016/j.jenvrad.2020.106408",
year = "2020",
month = dec,
day = "1",
doi = "10.1016/j.jenvrad.2020.106408",
language = "English",
volume = "225",
journal = "Journal of Environmental Radioactivity",
issn = "0265-931X",
publisher = "Elsevier Ltd",

}

RIS

TY - JOUR

T1 - Simulating uranium sorption onto inorganic particles

T2 - The effect of redox potential

AU - Degueldre, C.

AU - McGowan, S.

N1 - This is the author’s version of a work that was accepted for publication in Journal of Environmental Radioactivity . Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Environmental Radioactivity, 225, 2020 DOI: 10.1016/j.jenvrad.2020.106408

PY - 2020/12/1

Y1 - 2020/12/1

N2 - An analytical expression is proposed to simulate the effects of pH and redox potential (E) on the sorption of uranium onto model inorganic particles in aquatic environments instead of following an experimental approach providing a list of empirical sorption data. The expression provides a distribution coefficient (Kd) as function of pH, E and ligand concentration (complex formation) applying a surface complexation model on one type of surface sites (>SuOH). The formulation makes use of the complexation and hydrolysis constants for all species in solution and those sorbed at the surface, using correlations between hydrolysis constants and surface complexation constants, for the specific sorption sites. The model was applied for the sorption of uranium onto aluminol, iron hydroxide and silanol sites, mimicking respectively ‘clean’ clay or ‘dirty’ clay and ‘clean’ sand or ‘dirty’ sand (‘dirty’ referring to iron hydroxide contaminated), in absence or presence of carbonates in solution. The calculated distribution coefficients are very sensitive with the presence or absence of carbonates. The Kd values obtained by applying the model are compared with values reported in the literature for the sorption of uranium onto specific adsorbents. It is known that in surface water, U(VI) and its hydroxides are the primary stable species usually observed. However, reduction to U(IV) is possible and may be simulated during sorption or when the redox potential (E) decreases. Similar simulations are also applicable to study the sorption of other redox sensitive elements. 

AB - An analytical expression is proposed to simulate the effects of pH and redox potential (E) on the sorption of uranium onto model inorganic particles in aquatic environments instead of following an experimental approach providing a list of empirical sorption data. The expression provides a distribution coefficient (Kd) as function of pH, E and ligand concentration (complex formation) applying a surface complexation model on one type of surface sites (>SuOH). The formulation makes use of the complexation and hydrolysis constants for all species in solution and those sorbed at the surface, using correlations between hydrolysis constants and surface complexation constants, for the specific sorption sites. The model was applied for the sorption of uranium onto aluminol, iron hydroxide and silanol sites, mimicking respectively ‘clean’ clay or ‘dirty’ clay and ‘clean’ sand or ‘dirty’ sand (‘dirty’ referring to iron hydroxide contaminated), in absence or presence of carbonates in solution. The calculated distribution coefficients are very sensitive with the presence or absence of carbonates. The Kd values obtained by applying the model are compared with values reported in the literature for the sorption of uranium onto specific adsorbents. It is known that in surface water, U(VI) and its hydroxides are the primary stable species usually observed. However, reduction to U(IV) is possible and may be simulated during sorption or when the redox potential (E) decreases. Similar simulations are also applicable to study the sorption of other redox sensitive elements. 

KW - Distribution coefficient

KW - Redox potential

KW - Surface complexation

KW - Uranium sorption

KW - Biogeochemistry

KW - Carbonates

KW - Hydrolysis

KW - Redox reactions

KW - Sorption

KW - Surface waters

KW - Analytical expressions

KW - Aquatic environments

KW - Experimental approaches

KW - Hydrolysis constant

KW - Ligand concentration

KW - Surface complexation modeling

KW - Iron compounds

U2 - 10.1016/j.jenvrad.2020.106408

DO - 10.1016/j.jenvrad.2020.106408

M3 - Journal article

VL - 225

JO - Journal of Environmental Radioactivity

JF - Journal of Environmental Radioactivity

SN - 0265-931X

M1 - 106408

ER -