A Molecular Mechanism of Hysteresis in Clay Swelling

Tambach, Tim J.; Bolhuis, Peter G.; Smit, Berend

doi:10.1002/ange.200353612

Cited by 19 publications

(11 citation statements)

References 32 publications

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“…When clay swells from the monolayer hydrate to the bilayer hydrate, it needs to overcome the energy barrier. 33 In Figure 3, we can find that the swelling energy barrier of montmorillonite is smaller than that of rectorite. Thus, montmorillonite swells more easily to a bilayer hydrate than rectorite.…”

Section: ■ Results and Discussionmentioning

confidence: 91%

Molecular Simulation Study of Hydrated Na-Rectorite

et al. 2015

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The swelling behavior of clay minerals is an important issue in industrial processes and environmental applications. Mixed-layer clay minerals containing a smectite fraction, such as rectorite, are neglected even though they could swell and exist in nature widely. The hydration of rectorite has not been well comprehended even though they are meaningful to mineralogy and industry. This study combines molecular dynamics (MD) and Monte Carlo (MC) simulations to disclose the swelling behavior of rectorite and compare with montmorillonite. From grand canonical Monte Carlo (GCMC) and MD simulations, we obtain swelling curves and swelling free-energy curves of rectorite with a relative humidity of 100%. With the comparisons of swelling free-energy minima, we find that the bilayer hydrate of Na-rectorite is more thermodynamically stable than the monolayer hydrate, which is similar to Na-montmorillonite. However, the interlayer sodium ions in rectorite show an asymmetrical distribution quite different from the symmetrical distribution in montmorillonite. Because of unequal layer charges between the smectite part and illite part of retorite, sodium ions prefer to distribute close to the illite part surface.

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Section: ■ Results and Discussionmentioning

confidence: 91%

Molecular Simulation Study of Hydrated Na-Rectorite

et al. 2015

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“…The swelling properties of clays have been studied extensively, both experimentally (Weiss et al, 1990;Cases et al, 1992;Bérend et al, 1995;Michot et al, 2002;Rinnert et al, 2005;Trausch et al, 2006;Salles et al, 2008) and theoretically (Boek et al, 1995a,b;de Siqueira et al, 1997;Young and Smith, 2000;Hensen et al, 2001;Hensen and Smit, 2002;Whitley and Smith, 2004;Tambach et al, 2004;Liu and Lu, 2006;Smith et al, 2006;Tambach et al, 2006) and are now relatively well understood. Mooney et al 3 (1952a,b) were among the first authors to show that smectites are able to sorb up to half their mass in water and that the water sorption behavior is strongly dependent on the nature of the exchangeable cation.…”

Section: Introductionmentioning

confidence: 99%

Hydration properties of synthetic high-charge micas saturated with different cations: An experimental approach

Pavón

Castro

Naranjo

et al. 2013

American Mineralogist

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An understanding of the interaction mechanisms between exchangeable cations and layered silicates is of interest from both a basic and an applied point of view. Among 2:1 phyllosilicates, a new family of swelling high-charge synthetic micas has been shown to be potentially useful as decontaminant. However, the location of the interlayer cations, their acidity and the water structure in the interlayer space of these silicates are still unknown. The aim of this paper was therefore to study the hydration state of the interlayer cations in the interlayer space of high-charge expandable micas and to evaluate the effect that this hydration has on the swelling and acidity behavior of these new materials. To achieve these objectives, three synthetic micas with different with different charge density total layer charges (ranging between 2 and 4 per unit cell) and with five interlayer cations (Na

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“…The former refers to the entrance of water into the interlayer, while the latter involves the replacement of natural counterions like Na + in the clay interlayer by other ions initially in the aqueous solution in contact with the mineral, and the concomitant release of Na + in the solution (Slabaugh, 1954;Barrer et al, 1963;Martin and Laudelout, 1963;Fripiat et al, 1964;Robeyns et al, 1971;Maes and Cremers, 1978;Ewin et al, 1981;Dyer et al, 2000). The swelling properties of clays have been studied extensively, both experimentally (Weiss et al, 1990;Cases et al, 1992;Bérend et al, 1995;Michot et al, 2002;Ferrage et al, 2005;Rinnert et al, 2005;Trausch et al, 2006;Salles et al, 2008) and theoretically (Boek et al, 1995a,b;de Siqueira et al, 1997;Young and Smith, 2000;Hensen et al, 2001;Hensen and Smit, 2002;Whitley and Smith, 2004;Tambach et al, 2004;Liu and Lu, 2006;Smith et al, 2006;Tambach et al, 2006) and are now relatively well understood. In the context of the geological disposal of nuclear waste, it is particularly 0016-7037/$ -see front matter Ó 2009 Elsevier Ltd. All rights reserved.…”

Section: Introductionmentioning

confidence: 99%