Comparison of Soil-Water Mechanisms in Hydration of Kaolinite and Montmorillonite through Molecular Dynamics Simulation
Publication: Geo-Congress 2024
ABSTRACT
Nano-level particle scale and stoichiometry of clay minerals result in the dominance of interfacial phenomena, including the adsorption of ions, ultimately yielding macroscopic swelling behavior. In this study, the surface interaction properties were compared between two clay minerals classically considered for their diametric swelling behaviors, kaolinite, and montmorillonite, using molecular dynamics (MD) simulation. Minerals were solvated with sodium chloride water solution to compare surface interactions with ions. Density was measured as a function of distance from respective mineral interfaces to compare with similar analyses of adsorbed water density in the literature. Ion radial distribution functions are prepared for each mineral. The results show a local density of water up to 1,900 kg/m3, and bulk density was achieved at approximately 1 nm normal to mineral surfaces; however, surface-ion structure is distinct between mineral surfaces due to crystallographic defects in montmorillonite.
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Information & Authors
Information
Published In
Geo-Congress 2024
Pages: 162 - 171
History
Published online: Feb 22, 2024
ASCE Technical Topics:
- Clays
- Comparative studies
- Density currents
- Engineering fundamentals
- Expansive soils
- Fine-grained soils
- Fluid dynamics
- Fluid mechanics
- Geomechanics
- Geotechnical engineering
- Hydraulic engineering
- Hydraulic properties
- Hydrologic engineering
- Methodology (by type)
- Minerals
- Research methods (by type)
- Soil dynamics
- Soil mechanics
- Soil properties
- Soils (by type)
- Surface properties
- Water and water resources
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