Molecular Dynamics Simulation of Clay …

With the increase in temperature, the inhibition of the cations on montmorillonite hydration is weakened, while the effect of pressure is opposite. ... Therefore, fully understanding the mechanism of clay hydration expansion and …

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Molecular dynamics simulation of hydration expansion …

The expansive clay minerals are mainly montmorillonite (MMT) and vermiculite (VMT), which are known for their interlayer hydration and swelling [8]. Studies on the swelling …

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The effect of inorganic salt on the mechanical properties of

With the development of science and technology, the swelling property of montmorillonite with water is no longer only studied by experiment. As a powerful means of …

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Experimental investigation on hydration mechanism of …

In this study, the differences in the absorbed water in the montmorillonite, illite, mudstone, and shale were determined separately. The TGA was performed under an argon …

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Investigation on the effect of metal cation radius on montmorillonite …

The short-range hydration repulsion plays an irrespective role in the interaction of hydrophilic particles in water. Currently, it is emphasized in many reports, although the …

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Effect of Layer Charge Density on Hydration Properties of

Most researchers believe that montmorillonite with stronger hydration ability layer cations (such as Na +, Li +) has higher expansion and hydrophilicity [21,22,23,24]. On the …

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Mechanisms of hydration inhibition on the surface of montmorillonite …

Borehole instability is one of the most complicated technical problems in oil and gas exploration and development.The hydration and expansion of clay minerals is the critical factor causing …

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Swelling of Montmorillonite from Molecular Simulations: …

The RH of hydration transition strongly depends on the nature of the clay, in particular the layer charge and its localization in the mineral layers (surface vs. center), and on the nature of the …

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Molecular Simulation of Hydration Characteristics of Montmorillonite …

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 …

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Difference in expansion and dehydration behaviors between …

Montmorillonite (Mt) expansion and swelling are key factors determining the barrier performance of bentonite in trans-uranic (TRU) and high-level radioactive waste disposal. ...

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Effects of Salinity on Formation Behavior of …

The hydration expansion of montmorillonite is ma inly affected by the surface . hydration force, osmotic hydration force and capill ary force. In addition, the water adsorbed by .

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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 …

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DFT study of the adsorption of 2,3

The hydration expansion of montmorillonite is inhibited by 2,3-epoxypropyltrimethylammonium chloride (NW-1 +).The adsorption behaviors of NW-1 + on Na …

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Systematic comparison of the hydration and dehydration of …

A number of studies have examined the hydration behaviors of montmorillonite with Na + and K +; however, assessments of smectite species other than montmorillonite, the …

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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 …

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Hydration-induced damage of tight conglomerates

It is widely recognized that the primary factors contributing to hydration-induced damage in conglomerate reservoirs in the Junggar Basin include montmorillonite water …

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Study of hydration of kaolinite and montmorillonite mixture by …

Specific features of the hydration process of the sodium form of montmorillonite were investigated by the DFT method in [28]. It has been found that the energies of water …

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Influence of different shut-in periods after fracturing on …

Due to different crystal lattice structures, the hydration expansion volume of montmorillonite is much greater than that of illite, but its speed is much slower [30]. Hydration …

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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, …

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Nanomechanical behavior and failure mechanisms of …

The interlayer cations in montmorillonite gradually undergo hydration with water molecules entering the layers, diminishing the interaction forces that contact the cations with the surfaces …

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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, …

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Study of a Polyamine Inhibitor Used for Shale …

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 …

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ACS Publications

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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 …

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Composite Hydration Process of Clay Minerals …

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 …

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(PDF) Molecular Dynamics Simulation of Clay …

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

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Nanomechanical behavior and failure mechanisms of …

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

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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 …

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Hydration of bentonite in natural waters: Application of …

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 …

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Imidazolium Gemini ionic liquids for regulating facilely the …

Montmorillonite (Mt) is a ubiquitous swelling clay mineral that exists in sedimentary rocks, surface sediments and soils ... Therefore, after hydration and expansion, the Mt …

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