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Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste.

Abstract:

The ability to separate fission products by electrodeposition from molten salts depends, in part, on differences between the interactions of the different fission product cations with the ions present in the molten salt "solvent". These differences may be expressed as ratios of activity coefficients, which depend on the identity of the solvent and other factors. Here, we demonstrate the ability to calculate these activity coefficient ratios using molecular dynamics simulations with sufficient...

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Publication status:
Published

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Publisher copy:
10.1021/jp075299n

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
Journal:
journal of physical chemistry. B More from this journal
Volume:
112
Issue:
4
Pages:
1177-1183
Publication date:
2008-01-01
DOI:
EISSN:
1520-5207
ISSN:
1520-6106
Language:
English
Pubs id:
pubs:416069
UUID:
uuid:0cec76c3-1d8b-4a33-9985-56e7182c4529
Local pid:
pubs:416069
Source identifiers:
416069
Deposit date:
2013-11-16

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