Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics

By Benjamin Rotenberg, Virginie Marry, R. Vuilleumier, N. Malikova, C. Simon, P. Turq. 2007

159 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Biomaterials, Civil and Structural Engineering

View Paper: https://www.semanticscholar.org/paper/d2f7d51578f10c1afb73f9f7bf0cda974440fb02

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In Atomic and Molecular Physics, and Optics

1. Xiandong Liu
2. Rucheng Wang
3. Michiel Sprik
4. Xiancai Lu
5. Evert Meijer
6. Jun Cheng

Citations in the corpus

• Modelling approaches for anion-exclusion in compacted Na-bentonite (2011, unknown): “(2007) was adapted assuming that the interlayer porosity was devoid of anions (Rotenberg et al., 2007) and by subdividing the external porespace into a Donnan volume and a free fraction.”
• Acidity of edge surface sites of montmorillonite and kaolinite (2013, background): “In classical molecular simulations of clay-water interfaces e.g. (Rotenberg et al., 2007; Croteau et al., 2009), accurate acidity constants of surface sites are needed to represent the distribution of protonated/deprotonated sites.”