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

Abstract : 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.
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Submitted on : Wednesday, December 8, 2010 - 4:22:26 PM
Last modification on : Tuesday, February 18, 2020 - 3:42:02 PM

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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, Elsevier, 2010, 312 (22), pp.3308-3315. ⟨10.1016/j.jcrysgro.2010.08.012⟩. ⟨hal-00544678⟩

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