Specificity of ionic adsorption in silicas studied with molecular dynamics and potential of mean force

S. Hocine (1) , Bertrand Siboulet (1) , M. Duvail (1) , Benoit Coasne (2) , P. Turq (3, 1) , Jean-François Dufrêche (1)

1 LMCT - Modélisation Mésoscopique et Chimie Théorique
2 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
3 PHENIX - PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX

Domaines: Chimie théorique et/ou physique

S. Hocine, Bertrand Siboulet, M. Duvail, Benoit Coasne, P. Turq, et al.. Specificity of ionic adsorption in silicas studied with molecular dynamics and potential of mean force. LowPerm 2015 - Low permeability media and nanoporous materials from characterisation to modelling, Jun 2015, Rueil Malmaison, France. ⟨cea-02491621⟩