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POSIVA Report 1997-10

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Name:

Application of Surface Complexation Modelling: Nickel Sorption on Quartz, Manganese Oxide, Kaolinite and Goethite and Thorium on Silica

Writer:

Markus Olin; Jarmo Lehikoinen

Language:

English

Page count:

34

ISBN:

951-652-035-9; 1239-3096

Summary:

Working report: POSIVA-raportti POSIVA-97-10, 24 sivua
ISBN 951-652-035-9


APPLICATION OF SURFACE COMPLEXATION MODELLING: NICKEL
SORPTION ON QUARTZ, MANGANESE OXIDE, KAOLINITE AND
GOETHITE, AND THORIUM ON SILICA


ABSTRACT

This study is a follow-up to a previous modelling task on mechanistic sorption. The
experimental work has been carried out at the Laboratory of Radiochemistry, University
of Helsinki (HYRL), and the sorption modelling was performed using the HYDRAQL
code. Parameters taken from the open literature were employed in the modelling phase.
The thermodynamic data for aqueous solutions were extracted from the EQ3/6 database
and subsequently modified for HYDRAQL where necessary.

The experimental data were obtained from five different experiments, four of which
concerned the adsorption of nickel. The first experimental system was a mixture of
Nilsiä quartz and manganese dioxide. In the second experiment, quartz was equilibrated
with a fresh and saline groundwater simulant instead of an electrolyte solution. The third
and fourth experiments dealt with nickel adsorption from an electrolyte solution onto
goethite and kaolinite surfaces respectively. In the fifth experiment, adsorption of
thorium onto a quartz surface was investigated.

The modelling of the first experimental system was successful provided an updated set
of sorption parameters for both quartz and manganese dioxide was adopted.

For simulated groundwaters, the pre-modelling correctly predicted the experimentally
observed lower adsorption of nickel in the saline simulant than in the fresh one.

The sorption of nickel onto a goethite surface over the entire pH range was successfully
predicted in the pre-modelling and no further modelling effort was needed.

The sorption of nickel onto a kaolinite surface was considerably more difficult to model
than the previous system. The pre-modelling results provided a poor fit to experimental
results at lower ionic strengths (0.001 M, 0.01 M). The phenomenon is similar to that
observed earlier for quartz. It was not possible to improve the fit in the final modelling
using the existing sorption data.

The experiments on the adsorption of thorium on quartz were of a preliminary nature.
The predictions from pre-modelling were fair enough and could be slightly improved in
the final modelling.

Keywords: sorption, surface complexation, modelling, nickel, thorium, quartz, manganese
oxide, kaolinite, goethite


POSIVA-raportti POSIVA-97-10, 24 sivua
ISBN 951-652-035-9


APPLICATION OF SURFACE COMPLEXATION MODELLING: NICKEL
SORPTION ON QUARTZ, MANGANESE OXIDE, KAOLINITE AND
GOETHITE, AND THORIUM ON SILICA


ABSTRACT

This study is a follow-up to a previous modelling task on mechanistic sorption. The
experimental work has been carried out at the Laboratory of Radiochemistry, University
of Helsinki (HYRL), and the sorption modelling was performed using the HYDRAQL
code. Parameters taken from the open literature were employed in the modelling phase.
The thermodynamic data for aqueous solutions were extracted from the EQ3/6 database
and subsequently modified for HYDRAQL where necessary.

The experimental data were obtained from five different experiments, four of which
concerned the adsorption of nickel. The first experimental system was a mixture of
Nilsiä quartz and manganese dioxide. In the second experiment, quartz was equilibrated
with a fresh and saline groundwater simulant instead of an electrolyte solution. The third
and fourth experiments dealt with nickel adsorption from an electrolyte solution onto
goethite and kaolinite surfaces respectively. In the fifth experiment, adsorption of
thorium onto a quartz surface was investigated.

The modelling of the first experimental system was successful provided an updated set
of sorption parameters for both quartz and manganese dioxide was adopted.

For simulated groundwaters, the pre-modelling correctly predicted the experimentally
observed lower adsorption of nickel in the saline simulant than in the fresh one.

The sorption of nickel onto a goethite surface over the entire pH range was successfully
predicted in the pre-modelling and no further modelling effort was needed.

The sorption of nickel onto a kaolinite surface was considerably more difficult to model
than the previous system. The pre-modelling results provided a poor fit to experimental
results at lower ionic strengths (0.001 M, 0.01 M). The phenomenon is similar to that
observed earlier for quartz. It was not possible to improve the fit in the final modelling
using the existing sorption data.

The experiments on the adsorption of thorium on quartz were of a preliminary nature.
The predictions from pre-modelling were fair enough and could be slightly improved in
the final modelling.

Keywords: sorption, surface complexation, modelling, nickel, thorium, quartz, manganese
oxide, kaolinite, goethite


Keywords:

sorption; surface complexation; modelling, nickel; thorium; quartz; manganese oxide; kaolinite, goethite

File(s):

Application of Surface Complexation Modelling: Nickel Sorption on Quartz, Manganese Oxide, Kaolinite and Goethite and Thorium on Silica (pdf) (514.2 KB)


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