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Swelling pressure of Na- and Ca-montmorillonites in saline environments: A molecular dynamics study

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Abstract The swelling pressure of bentonite clay is an important characteristic that influences its use in nuclear waste disposal repositories. A molecular dynamics study was performed to investigate the influence… Click to show full abstract

Abstract The swelling pressure of bentonite clay is an important characteristic that influences its use in nuclear waste disposal repositories. A molecular dynamics study was performed to investigate the influence of salt solutions of different concentrations on the swelling pressure of Na-montmorillonite and Ca-montmorillonite in NaCl and CaCl2 solutions, respectively. Na-montmorillonite shows a gradual increase in swelling pressure as the dry density increases, while Ca-montmorillonite shows a slow increase as the dry density increases, after which a steeper increase in swelling pressure was observed. There is an overall decrease in swelling pressure of Na- and Ca-montmorillonites as the salinity of the surrounding solution increases. The influence of ionic strength was most prominent for Na-montmorillonite at moderate to high dry densities. At low to moderate dry densities, the swelling pressure of Na-montmorillonite was greater than that of Ca-montmorillonite; however, at high dry densities and ionic strengths, Ca-montmorillonite exhibits the higher swelling pressures.

Keywords: dynamics study; pressure montmorillonites; molecular dynamics; swelling pressure; dry densities; pressure

Journal Title: Chemical Physics
Year Published: 2020

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