Liu, Xiandong; Lu, Xiancai; Zhou, Huiqun; Xu, Shijin
(The Clay Minerals SocietyThe Clay Minerals Society, 2007)
The structure and dynamics of alkylammonium-intercalated smectites were simulated using molecular dynamics employing the clayff-CVFF force field, the reliability of which was firstly validated for these systems. The layering ...