Influence of layer charge and charge location on the swelling pressure of dioctahedral smectites

[Display omitted] Swelling pressure of dioctahedral smectites in the montmorillonite – beidellite series was investigated by molecular dynamics simulations. The pressure was found to correlate inversely with the magnitude of the layer charge in the range of −0.5 to −1.0 per unit cell. The beidellite...

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Bibliographic Details
Published inChemical physics Vol. 473; pp. 40 - 45
Main Authors Sun, Linlin, Ling, Chian Ye, Lavikainen, Lasse P., Hirvi, Janne T., Kasa, Seppo, Pakkanen, Tapani A.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.07.2016
Subjects
Beidellite
Molecular dynamics
Montmorillonite
Simulations
Smectite
Swelling pressure
Molecular dynamics
Simulations
Montmorillonite
Beidellite
Smectite
Swelling pressure
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Summary:[Display omitted] Swelling pressure of dioctahedral smectites in the montmorillonite – beidellite series was investigated by molecular dynamics simulations. The pressure was found to correlate inversely with the magnitude of the layer charge in the range of −0.5 to −1.0 per unit cell. The beidellite type smectites were found to have lower swelling pressure than the montmorillonite type smectites. A clear effect of the type of interlayer cations on the swelling pressure was found. The sodium smectites sustained significant pressure even at longer interlayer distances, while in calcium smectites the pressure decreased soon after the initial swelling. The simulation results are in good agreement with experimental observations and provide a tool for predicting macroscopic swelling behavior in smectites.
ISSN:0301-0104
DOI:10.1016/j.chemphys.2016.05.002