“…The calculated cleavage energies and their Coulomb and van der Waals contributions were found to be in good agreement with experimental results (Giese & Van Oss, 2002;Yariv & Cross, 2002). Lanson et al (2022) simulated the behaviour of alkylammonium in the Mnt interlayer using Amber-ClayFF force fields (Cornell et al, 1995;Pearlman et al, 1995;Cygan et al, 2004) and obtained stable configurations; the calculated basal spacing were close to experimental values (Lagaly & Weiss, 1971;Lagaly, 1994). Liu et al (2007) investigated the swelling behaviour of alkylammonium-intercalated smectites as a function of carbon chain length by using the combined ClayFF-CVFF force field (Dauber-Osguthorpe et al, 1988;Cygan et al, 2004).…”