Control of Structural Hydrophobicity and Cation Solvation on Interlayer Water Transport during Clay Dehydration

Ho, Tuan A.; Coker, Eric N.; Jové-Colón, Carlos F.; Wang, Yifeng

doi:10.1021/acs.nanolett.1c04609

Title: Control of Structural Hydrophobicity and Cation Solvation on Interlayer Water Transport during Clay Dehydration

Journal Article · Mon Mar 21 00:00:00 EDT 2022 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.1c04609· OSTI ID:1855820

^[1]; Coker, Eric N. ^[1]; Jové-Colón, Carlos F. ^[1]; Wang, Yifeng ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Swelling clay hydration/dehydration is important to many environmental and industrial processes. Experimental studies usually probe equilibrium hydration states in an averaged manner and thus cannot capture the fast water transport and structural change in interlayers during hydration/dehydration. Using molecular simulations and thermogravimetric analyses, we observe a two-stage dehydration process. The first stage is controlled by evaporation at the edges: water molecules near hydrophobic sites and the first few water molecules of the hydration shell of cations move fast to particle edges for evaporation. The second stage is controlled by slow desorption of the last 1–2 water molecules from the cations and slow transport through the interlayers. The two-stage dehydration is strongly coupled with interlayer collapse and the coordination number changes of cations, all of which depend on layer charge distribution. Furthermore, this mechanistic interpretation of clay dehydration can be key to the coupled chemomechanical behavior in natural/engineered barriers.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003525

OSTI ID:: 1855820

Report Number(s):: SAND2022-3158J; 704229

Journal Information:: Nano Letters, Vol. 22, Issue 7; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
water transport
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molecules
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Title: Control of Structural Hydrophobicity and Cation Solvation on Interlayer Water Transport during Clay Dehydration

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