Monte Carlo simulations of Wyoming sodium montmorillonite hydrates Article

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Overview

abstract

• The equilibrium properties of smectites or expanding clays were investigated. Monte Carlo simulations were used to predict the interlayer basal separations of sodium-saturated Wyoming clays at constant stress and at constant chemical potential. The use of one, two, and three sheets of clay were compared. Two separate clay sheets were used to avoid system-size effects.

authors

• Chávez Páez Martín
• De Pablo J.J.
• De Pablo L.
• Van Workum K.

publication date

• 2001-01-01

published in

• Journal of Chemical Physics  Journal

Research

keywords

• Computer simulation; Hydration; Monte Carlo methods; Positive ions; Potential energy; Chemical potentials; Montmorillonite hydrates; Clay

Identity

Digital Object Identifier (DOI)

• 10.1063/1.1322639

Additional Document Info

start page

• 1405

end page

• 1413

volume

• 114

issue

• 3