Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
On the Nature of the Cathodic Reaction during Corrosion of Copper in Anoxic Sulfide Solutions
Stockholm University, Faculty of Science, Department of Physics.
Stockholm University, Faculty of Science, Department of Physics. Universidade Federal de Minas Gerais, Brazil.
Stockholm University, Faculty of Science, Department of Physics.
Number of Authors: 42019 (English)In: Journal of the Electrochemical Society, ISSN 0013-4651, E-ISSN 1945-7111, Vol. 166, no 6, p. C196-C208Article in journal (Refereed) Published
Abstract [en]

Sulfide-induced corrosion is expected to be the dominating long-term corrosion process for copper containers in technical concepts for deep geological disposal of spent nuclear fuel (SNF), adapted in several waste management programs around the world. The present study investigates the atomic-scale mechanism of the cathode side of the corrosion reaction using Density Functional Theory (DFT) calculations. Despite the central role of the reaction, neither the site of reaction nor the active species has been previously established. Here we compare the cathodic reaction leading to H-2-evolution on pure copper and on chalcocite (Cu2S) surfaces. The considered H-donors are OH-/H2O and HS-/H2S which are all available at the neutral to alkaline conditions anticipated at the SNF disposal sites. Assuming Volmer-Tafel-Heyrovsky kinetics, we find that the cathodic reactions are many orders of magnitude faster on copper compared to copper sulfide. Although we find that HS-/H2S have lower reaction barriers than H2O, our kinetic analysis suggest that H2O is expected to be the main H-source for the cathodic reaction under SNF repository conditions as results of the low sulfide concentrations (less than or similar to 10 mu M) expected in SNF repositories in Sweden, Finland and Canada.

Place, publisher, year, edition, pages
2019. Vol. 166, no 6, p. C196-C208
National Category
Chemical Sciences Materials Engineering
Identifiers
URN: urn:nbn:se:su:diva-168344DOI: 10.1149/2.0951906jesISI: 000464099400001OAI: oai:DiVA.org:su-168344DiVA, id: diva2:1315080
Available from: 2019-05-10 Created: 2019-05-10 Last updated: 2019-05-10Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Search in DiVA

By author/editor
Halldin Stenlid, JoakimCampos dos Santos, EgonPettersson, Lars G. M.
By organisation
Department of Physics
In the same journal
Journal of the Electrochemical Society
Chemical SciencesMaterials Engineering

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 2 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf