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

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.

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