Montmorillonite Hydration Expansion

Structure and properties of montmorillonite containing Ca

The reason for the expansion of Sr-montmorillonite, as in the presence of other cations, can be conditionally divided into two: expansion of the interlayer space under the action of the Sr 2+ hydration shell, and expansion due to the entry of a certain amount of water molecules to fill the remaining interlayer volume [53]. Comparison of Mg-, ...

ACS Publications

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Mechanistic study of the effect of clay hydration swelling on CH

Sodium montmorillonite demonstrated the highest swelling rate at 107.61%, followed by illite at 98.75%, and calcium montmorillonite at 93.62%. These findings indicate that the degree of hydration for the three shale clay minerals, under the same water content, follows the order: sodium montmorillonite > illite > calcium montmorillonite.

Difference in the preparation of two-dimensional nanosheets of

Montmorillonite (MMT), having special property of hydration expansion, can be easily exfoliated into two-dimensional (2D) nanosheets, which are the promising blocks for making multifunctional nanocomposites.

Inhibition mechanism of cationic polyacrylamide on montmorillonite

The presence of CPAM is destined to occupy the surface space of montmorillonite, so the peak value of the first hydration layer on the surface of montmorillonite will be significantly reduced, as shown in Fig. 5 (b) and (d). It is worth noting that the position of the Na-MMT hydration layer is roughly the same as the trimethylamine group in ...

Effects of Temperature on Structural Properties of Hydrated

This phenomenon is known as hydration and involves the electrostatic forces exerted by interlayer ions and hydrogen bonds formed between water molecules and the OH group on the MMT 010 surface . The expansion and contraction of MMT result in the development of existing cracks (pores) or the creation of new cracks, which may initiate the ...

Insights into the influence mechanism of different interlayer …

Berghout et al. (2010) investigated the swelling and hydration behavior of montmorillonite using DFT. They explored the effect of the degree of the hydration of divalent …

Experimental study on slime water flocculation sediment …

firm whether montmorillonite hydration expansion is restrained or not. 1.2.2 Montmorillonite's single static sedimentation experiment of different electrolyte solutions Take dry 2.5 g montmorillonite, add water, KCl so-lution, CaCl2 solution, and NaCl solution respectively and do static sedimentation experiments in 250 mL

Swelling of Na∕Mg-montmorillonites and hydration of …

The simulations reproduced the swelling pattern of a natural montmorillonite, suggesting a mechanism of its hydration different from that of the homoionic montmorillonite. We also found that the differences in size and …

Systematic comparison of the hydration and dehydration of Na

A number of studies have examined the hydration behaviors of montmorillonite with Na + and K +; however, assessments of smectite species other than montmorillonite, the dehydration behaviors of smectites, and NH 4 +-saturated smectites have been limited. Most homo-ionized montmorillonite exhibits common hydration behavior (Sato et al., 1992 ...

Nanomechanical behavior and failure mechanisms of hydrated

Montmorillonite, a typical clay mineral, significantly influences the macroscopic deformation and fracture of soft rocks through water absorption-induced swelling and mechanical behavior at …

Difference in expansion and dehydration behaviors between NH4 …

Montmorillonite (Mt) expansion and swelling are key factors determining the barrier performance of bentonite in trans-uranic (TRU) and high-level radioactive waste disposal. ... Expansion of Mt is caused by hydration of interlayer cations and is affected by the type of cation, magnitude of the layer charge, and charge location (Sato et al., 1992).

Molecular dynamics simulation of hydration expansion …

Furthermore, the hydration and expansion of VMT may also give rise to complications such as geotechnical instability [13]. ... Influence of inorganic and organic salts on the hydration mechanism of montmorillonite based on molecular simulation. Sci. Rep., 13 (2023), p. 9090, 10.1038/s41598-023-36137-w.

Study of a Polyamine Inhibitor Used for Shale Water-Based …

The shale inhibitor TGA mechanism is mainly to inhibit the hydration expansion of sodium montmorillonite by inhibiting interlayer hydration. The amine group of the inhibitor molecule is dissociated into ammonium cations after hydration and then forms a chemical potential difference with the inorganic cations in the clay crystal layer.

Experimental study on the damage of organic-rich shale during …

The hydration expansion stress and strain tester, which was developed based on the principle of the fixed-volume method, is used to evaluate the hydration expansion strain and hydration expansion stress of organic-rich shale. ... so the hydration of illite is weaker than that of montmorillonite. The hydration and expansion capacity of the ...

Molecular Simulation Study of Montmorillonite in Contact with Water

Grand canonical Monte Carlo and molecular dynamics simulations were applied to understand the molecular mechanism of ion and water transport in montmorillonite clays as a function of relative humidity (RH). The variation of basal spacings of montmorillonite as a function of RH predicted based on the swelling free energy profiles was consistent with X-ray data. The …

Molecular dynamics study on hydration characteristics of …

Molecular dynamics simulations of hydration shell on montmorillonite (001) in water. Surf. Interface Anal. (2016) J. Liu et al. Swelling capacity of montmorillonite in the presence of electrolytic ions. J. Dispers. Sci. ... (Na-Mnt), which readily experience hydration expansion, dispersing into the drilling fluids, reducing their performance. ...

Hydration of bentonite in natural waters: Application of "confined

A common approach to studying the distinct hydration states of the montmorillonite swelling clays is to vary the conditions of relative humidity and to monitor interlayer expansion by X-ray diffraction (XRD) techniques (Mooney et al., 1952, Collins et al., 1992, Kühnel and van der Gaast, 1993, Chipera et al., 1997, Ferrage et al., 2005) or via bulk volume measurements …

(PDF) Molecular Dynamics Simulation of Clay Hydration Inhibition …

Hydration swelling and the interlayer structure properties of Na-montmorillonite were modeled with the energy minimizing and molecular dynamics (MD) module of Cerius2.

Charge location effect on the hydration properties of synthetic

The expansion characteristics of natural smectites have been examined in detail under various relative humidities (RH) ... They have studied the influence of layer charge and charge location on the hydration properties of montmorillonite and beidellite. The increase of layer charge shifted the transition from 2W (two-water layers) ...

Molecular dynamics study of montmorillonite crystalline swelling: …

The larger hydration energy of Ca 2+ ions relative to Na + ions promotes increased water coordination numbers and more pronounced association of water molecules with Ca 2+ ions. The 1- and 2-layer hydrates for Na-MMT and the 2-layer hydrate for Ca-MMT were relatively stable to changes in temperature and pressure. ... Montmorillonite (MMT), as ...

Molecular Simulation of Hydration Characteristics of …

By comparing and analyzing the data in Table 1, it can be found that under different hydration conditions, each inhibitor has a different degree of inhibition of sodium …

Can carboxymethyl cellulose molecules bind swelling montmorillonite

Research on montmorillonite hydration expansion mechanisms. Bull. Chin. Ceram. Soc. (2010) G. Jiang et al. ... Investigation on the effect of metal cation radius on montmorillonite hydration: Combining experiments with molecular dynamics simulation. Separation and Purification Technology, Volume 353, Part B, 2025, Article 128474.

In order to reveal the hydration mechanism of sodium montmorillonite under deep and complex burial conditions, molecular dynamics simulations on the hydration process of sodium montmorillonite at different burial depths were carried out by using molecular simulation techniques, verify the hydration expansion characteristics of sodium ...

Composite Hydration Process of Clay Minerals Simulating …

In fact, the hydration of montmorillonite is more intense compared with illite, that is, the presence of montmorillonite has a more serious effect on the expansion of clay minerals. 4.4. Effect of Cations on the Hydration of Clay Minerals ... Liu, X.; Liang, L. Hydration expansion of clay minerals and its inhibitory by inorganic salt solution ...

Hydration Expansion of Clay Minerals and Its Inhibitory by Inorganic Salt Solution. Author: Affiliation: Fund Project: ... but the expansion degree of montmorillonite crystal layer spacing is far higher than that of illite or chlorite. Inorganic salt solution can inhibit the crystal layer hydration expansion of montmorillonite and illite, and ...

Molecular dynamics simulation of hydration expansion

The result indicated that the introduction of Mg²⁺ could increase the vermiculite interlayer water content through hydration interaction, and the expansion ratio increased 13.7% under the ...

Functionality developments in montmorillonite nanosheet: …

The hydration radius of these ions can exceed 0.3 nm [44], contributing further to the hydration expansion of MMT [45]. As the hydration level increases, the interlayer spacing of MMT expands, reaching 1.25 nm, 1.53 nm, 1.85 nm, and 2.10 nm for one, two, three, and four layers of water molecules, respectively [46]. This expansion weakens the ...

Influence of inorganic and organic salts on the hydration …

Huang et al. 11 investigated the mechanism of inhibiting the hydration of montmorillonite by small organic amine molecules, and found that formamide has a better …

Functionality developments in montmorillonite nanosheet: …

Montmorillonite and its nanosheets possess unique layered structure and excellent physical/chemical properties. ... [23]. Due to the hydration expansion, MMT can be exfoliated into single-layer or few-layer MMTNS [24]. The exfoliated MMTNS have fully exposed adsorption sites, enhanced charge/functional group anisotropy on the edges and surfaces ...

Hydration and Mobility of Interlayer Ions of (Nax, Cay) …

Molecular dynamics simulations have been performed to investigate the swelling properties, hydration behaviors, and mobility of the interlayer species of (Na x, Ca y)-montmorillonites with different water contents.

Mechanisms of novel method for removing cristobalite from

Based on the above reasons, this work introduces a novel method for removing cristobalite from Mt to obtain high purity Mt. Mt is a two-dimensional layered structure mineral, which can undergo hydration expansion in aqueous solution and then easily be exfoliated into two-dimensional montmorillonite nanosheets (MtNS) [16].However, cristobalite has a cubic …

Molecular simulation in surface hydration of clay minerals: a …

Additionally, they examined the influence of sodium and calcium electrolytes on the hydration degree of montmorillonite and kaolinite aqueous dispersion using the hydration index I. Although there are many related studies on the theoretical analysis and determination methods of clay mineral surface hydration, the understanding of the hydration ...

Two-dimensional montmorillonite membranes with controllable …

In addition, MMT can be readily exfoliated into 2D montmorillonite nanosheet (MMTNS) with monolayer or few-layers thickness in aqueous environment through certain external force, including ultrasound, shearing and so on, [27] because MMT possess the excellent hydration expansion capacity. [28]

Insights into the influence mechanism of different interlayer …

They explored the effect of the degree of the hydration of divalent interlayer cations (Mg 2+ /Ca 2+ /Sr 2+ /Ba 2+) on the structure expansion of the interlayer space of montmorillonite. The interaction of water molecules with lithium-montmorillonite (Li Mt) was theoretically investigated based on first principles calculation by Wungu et al ...

Effect of Layer Charge Density on Hydration Properties of

The swelling capacity refers to the volume of montmorillonite after expansion in dilute hydrochloric acid solution. The gelling value is a comprehensive expression including the dispersibility, hydrophilicity, and swelling ability of the montmorillonite. Both of them can be used to characterize the hydration expansion properties of montmorillonite.

Expansion characteristics of organo montmorillonites during the

Expansion characteristics of organo montmorillonites during the intercalation, aging, drying and rehydration processes: Effect of surfactant/CEC ratio ... Although sydration behavior of original montmorillonite has been extensively studied in past two decades ... Part I. Montmorillonite hydration properties. Am. Mineral., 90 (2005), pp. 1358 ...

Effect of layer bending on montmorillonite hydration …

Smectite clays such as montmorillonite (Mnt) are thought to exist in stable hydration states characterized by the number of water layers in between the aluminosilicate layers.

Effect of Layer Charge Density on Hydration …

The swelling capacity refers to the volume of montmorillonite after expansion in dilute hydrochloric acid solution. The gelling value is a comprehensive expression including the dispersibility, hydrophilicity, and …

Effect of interlayer cations on montmorillonite swelling: …

The evolution of the basal spacing, d(001), of homoionic montmorillonite during hydration is shown as a function of relative humidity (RH) at 50 °C in Fig. 2(a) and is based on the results of Morodome and Kawamura, 2009, Morodome and Kawamura, 2011. For monovalent Na case, the basal spacing changed in a stepwise manner: ~10 Å for the dry ...