Experimental and molecular dynamics modeling studies of interlayer swelling: water incorporation in kanemite and ASR gel

Determination of the elastic properties of amorphous materials: Case study of alkali–silica reaction gel

“…No discontinuous changes, which would indicate a phase transition, were observed. This stable behavior under high pressure supports the idea that the water molecules are situated not within the interlayer but between nano-particles [4].…”

“…The ASR gel has a disordered atomic structure dominated by Q3 silicate tetrahedra in NMR spectrum [1][2][3]. It has been proposed that this structure is similar with that of the crystalline phases: hydrous Na kanemite (NaHSi 2 O 5 · 3H 2 O) [2][3][4] and K kanemite (KHSi 2 O 5 · 3H 2 O) [5], but with much greater overall disorder [5,6].…”

ASR prevention — Effect of aluminum and lithium ions on the reaction products

“…Such a higher binding capability of alkalis can lead to higher binding capability of water. The alkalis form an effective hydrogen bonding network with water molecules and are able to stabilize large amounts of water in the reaction product [41]. Consequently, the expansion potential could be higher.…”

Structural Arrangements of Isomorphic Substitutions in Smectites: Molecular Simulation of the Swelling Properties, Interlayer Structure, and Dynamics of Hydrated Cs–Montmorillonite Revisited with New Clay Models

“…In order to quantify the thermodynamics of hydration and swelling for three different Cs−montmorillonite models, we calculated the hydration energy, immersion energy, 27,36,40,41,[96][97][98]100 and the isosteric heat of adsorption 27 at each of the hydration states. The hydration energy (ΔU) evaluates the energy change associated with water uptake by the dry clay, and can be calculated using the generic formula:…”