Atomic modelling of crystal/complex fluid/crystal contacts-Part II. Simulating AFM tests via the GenMol code for investigating the impact of CO2 storage on kaolinite/brine/kaolinite adhesion - Archive ouverte HAL
Article Dans Une Revue Journal of Crystal Growth Année : 2010

Atomic modelling of crystal/complex fluid/crystal contacts-Part II. Simulating AFM tests via the GenMol code for investigating the impact of CO2 storage on kaolinite/brine/kaolinite adhesion

Jalal Dweik
  • Fonction : Auteur
  • PersonId : 884498
P. Jouanna
  • Fonction : Auteur
Philippe Gouze
  • Fonction : Auteur
  • PersonId : 862043
M. Andreani
Linda Luquot

Résumé

GenMol (TM) code is used to simulate Atomic Force Microscopy (AFM) tests at a kaolinite/brine/kaolinite contact, the confined fluid in sub-nanometre interspaces being in equilibrium with an external multi-species solution. The attraction/repulsion effort, i.e. the derivative versus the interspace aperture h of the interaction energy between both kaolinite faces, is computed versus the variable composition of the confined fluid (see for the method Part I of this work). Two external solutions are tested. Solution Si is a neutral brine (pH=7.5) leading to a possible attraction for apertures lower than 7 angstrom. Solution S2 is an acidified brine (pH=3.2) leading to repulsion whatever may be the aperture h. These two AFM simulations prove the existence of a critical pH value (3.2 < pH(crit) < 7.5) of the external solution, below which the acidification of a natural brine in a CO2 confinement inhibits adhesion between kaolinite aggregates.

Domaines

Minéralogie

Dates et versions

hal-00544678 , version 1 (08-12-2010)

Identifiants

Citer

G. Pepe, Jalal Dweik, P. Jouanna, Philippe Gouze, M. Andreani, et al.. Atomic modelling of crystal/complex fluid/crystal contacts-Part II. Simulating AFM tests via the GenMol code for investigating the impact of CO2 storage on kaolinite/brine/kaolinite adhesion. Journal of Crystal Growth, 2010, 312 (22), pp.3308-3315. ⟨10.1016/j.jcrysgro.2010.08.012⟩. ⟨hal-00544678⟩
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