Sorption of Se species on mineral surfaces, part I : Batch sorption and multi-site modelling

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Li , X , Puhakka , E , Ikonen , J , Söderlund , M , Lindberg , A , Holgersson , S , Martin , A & Siitari-Kauppi , M 2018 , ' Sorption of Se species on mineral surfaces, part I : Batch sorption and multi-site modelling ' , Applied Geochemistry , vol. 95 , pp. 147-157 . https://doi.org/10.1016/j.apgeochem.2018.05.024

Title: Sorption of Se species on mineral surfaces, part I : Batch sorption and multi-site modelling
Author: Li, Xiaodong; Puhakka, Eini; Ikonen, Jussi; Söderlund, Mervi; Lindberg, Antero; Holgersson, Stellan; Martin, Andrew; Siitari-Kauppi, Marja
Contributor: University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
University of Helsinki, Department of Chemistry
Date: 2018-08
Language: eng
Number of pages: 11
Belongs to series: Applied Geochemistry
ISSN: 0883-2927
URI: http://hdl.handle.net/10138/316255
Abstract: The sorption behavior of Se(IV) on Grimsel granodiorite and its main minerals, plagioclase, K-feldspar, quartz and biotite, were investigated in Grimsel groundwater simulant in a large Se concentration range (from 1.66 x 10(-10) M to 1 x 10(-3) M). Experimental results show that the distribution coefficients (K-d values) of Se (IV) on the rock and mineral samples increased with the decreasing of Se(IV) concentration. The sorption of Se (IV) on biotite has the largest K-d value in low concentration area (<10(-7) M) stabilizing between 0.0595 +/- 0.0097 m(3)/Kg and 0.0713 +/- 0.0164 m(3)/Kg. The Kd value of Se(IV) on K-feldspar was the second largest (0.0154 +/- 0.0019 m(3)/Kg in 10(-9) M) while the sorption on quartz was negligible. The sorption behavior of Se(IV) on Grimsel granodiorite followed the same trend as plagioclase, the most abundant mineral in Grimsel granodiorite, with K-d values of 0.0078 +/- 0.0010 m(3)/Kg for Grimsel granodiorite and 0.0085 +/- 0.0016 m(3)/Kg for plagioclase, when Se(IV) concentration was 10(-9) M. HPLC-ICP-MS results show that all the Se(IV) remained in + IV oxidation state after more than 1 month experimental time and speciation modelling proved that the main species in Grimsel groundwater simulant were HSeO3- and SeO32-. Multi-site surface complexation modelling was performed by PHREEQC with the help of molecular modelling techniques which was performed with the CASTEP code implemented into Materials Studio. The modelling results predict that there are three kinds of sorption sites on the surface of biotite mineral, with sorption site densities differing in three magnitudes.
Subject: Selenium
Sorption
Crystalline rock
Minerals
Surface complexation modelling
BOREAL FOREST SOIL
GRIMSEL TEST-SITE
NUCLEAR-WASTE DISPOSAL
DIFFUSION EXPERIMENT
FRACTURED ROCK
SELENIUM
ADSORPTION
GRANITE
FIELD
SWITZERLAND
116 Chemical sciences
1171 Geosciences
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