University of Oulu

Andreas Jenni, Johannes C.L. Meeussen, Tapani A. Pakkanen, Janne T. Hirvi, Bukunmi Akinwunmi, Ángel Yustres, Vicente Navarro, Rubén López-Vizcaíno, Eveliina Muuri, Mika Niskanen, Paul Wersin, Urs Mäder, Coupling of chemical and hydromechanical properties in bentonite: A new reactive transport model, Applied Clay Science, Volume 214, 2021, 106274, ISSN 0169-1317,

Coupling of chemical and hydromechanical properties in bentonite : a new reactive transport model

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Author: Jenni, Andreas1; Meeussen, Johannes C. L.2; Pakkanen, Tapani A.3;
Organizations: 1Institute of Geological Sciences, University of Bern, Baltzerstrasse 1+3, 3012 Bern, Switzerland
2NRG, Westerduinweg 3, 1755 LE Petten, the Netherlands
3Laboratory of Inorganic Chemistry, Environmental and Chemical Engineering, University of Oulu, P.O. Box 3000, 90014 Oulu, Finland
4Department of Chemistry, University of Eastern Finland, P.O. Box 111, Joensuu 80101, Finland
5Geoenvironmental Group, Civil Engineering Department, University of Castilla-La Mancha, Avda. Camilo José Cela s/n, 13071 Ciudad Real, Spain
6Posiva Oy, Olkiluoto, 27160 Eurajoki, Finland
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 2 MB)
Persistent link:
Language: English
Published: Elsevier, 2021
Publish Date: 2021-11-08


The reactive transport framework ORCHESTRA was used to implement a dual porosity reactive transport system that accounts for mechanical processes relevant for confined swelling clays at full saturation. The new implementations are based on water retention data generated by molecular dynamics simulations, and on fundamental mechanical formulations. The code predicts and fully couples porewater chemistry, exchanger population, diffusive transport, mineral reactions, volume fractions of the free and Donnan porosity domains, and swelling pressure. The chemomechanical predictions were compared with experimental measurements of swelling pressure and d-value of the clay in different chemical environments. A simulation of bentonite in contact with a constant concentration reservoir demonstrates the performance of the new model approach. It can be used to model interactions of bentonite with different groundwaters or cement and steel.

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Series: Applied clay science
ISSN: 0169-1317
ISSN-E: 1872-9053
ISSN-L: 0169-1317
Volume: 214
Article number: 106274
DOI: 10.1016/j.clay.2021.106274
Type of Publication: A1 Journal article – refereed
Field of Science: 215 Chemical engineering
Funding: The study was financially supported by Posiva Oy.
Copyright information: © 2021 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (