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Wiley, Angewandte Chemie, 20(116), p. 2704-2706, 2004

DOI: 10.1002/ange.200353612

Wiley, Angewandte Chemie International Edition, 20(43), p. 2650-2652

DOI: 10.1002/anie.200353612

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A Molecular Mechanism of Hysteresis in Clay Swelling

Journal article published in 2004 by Tim J. Tambach, Peter G. Bolhuis, Berend Smit ORCID
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This paper is available in a repository.

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Abstract

Feats of clay: Molecular simulations are used to study the mechanism of clay-swelling hysteresis. A free-energy barrier separating stable layered hydrates is found to be the origin of this hysteresis. The simulations are also used to predict that changing the external pressure on a clay mineral layer can induce hysteresis (see picture).