Issues

Molecular dynamics simulation (upper-left figure) of Cl^– exclusion from (lower left figure) and Na⁺ condensation in (lower right figure) the interlayer of montmorillonite. Anion exclusion predictions based on the Poisson-Boltzmann equation were consistent with the MD simulation results, if they included a distance of closest approach of ions to the clay mineral surface on the order of 2.0±0.8 Å (upper right figure). See “Molecular dynamics simulations of anion exclusion in clay interlayer nanopores” by Tournassat et al., this issue.