Clay swelling: role of cations in stabilizing/destabilizing mechanisms

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dc.contributor.authorChen, Wen L.
dc.contributor.authorGrabowski, Robert C.
dc.contributor.authorGoel, Saurav
dc.date.accessioned2022-01-20T09:46:04Z
dc.date.available2022-01-20T09:46:04Z
dc.date.issued2022-01-17
dc.description.abstractThe stepwise hydration of clay minerals has been observed repeatedly in studies, but the underlying mechanism remains unclear. Previous numerical studies confirmed the presence of one-water layer (1W) and two-water layer (2W) hydration states. However, the undisturbed transition between these hydration states has never been captured. Using molecular dynamics simulation, this study (i) simulated for the first time the free 1W–2W transition during clay hydration and (ii) identified the underlying mechanism to be the detachment of cations from the clay surface and the formation of a shell of water molecules around the cation. The swelling dynamics of clay was found to be affected by the clay charge, clay mineralogy, and counterions through complex cation–clay interactions, cation hydration capacity, and cation migration rate.en_UK
dc.description.sponsorshipEngineering and Physical Sciences Research Council (EPSRC): EP/T001100/1.en_UK
dc.identifier.citationChen WL, Grabowski RL, Goel S. (2022) Clay swelling: role of cations in stabilizing/destabilizing mechanisms, ACS Omega, Volume 7, Issue 4, February 2022, pp. 3185-3191en_UK
dc.identifier.issn2470-1343
dc.identifier.urihttps://doi.org/10.1021/acsomega.1c04384
dc.identifier.urihttp://dspace.lib.cranfield.ac.uk/handle/1826/17448
dc.language.isoenen_UK
dc.publisherACSen_UK
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectAbsorptionen_UK
dc.subjectLayered materialsen_UK
dc.subjectHydrationen_UK
dc.subjectClayen_UK
dc.subjectCationsen_UK
dc.titleClay swelling: role of cations in stabilizing/destabilizing mechanismsen_UK
dc.typeArticleen_UK

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