Atomic modelling of crystal/complex fluid/crystal contacts - Part II. Simulating AFM tests via the GenMol code for investigating the impact of CO sub(2) storage on kaolinite/brine/kaolinite adhesion

GenMol super(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 interspa...

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Bibliographic Details
Published in:Journal of crystal growth 2010-11, Vol.312 (22), p.3308-3315
Main Authors: Pepe, G, Dweik, J, Jouanna, P, Gouze, P, Andreani, M, Luquot, L
Format: Article
Language:English
Subjects:
Apertures
Atomic force microscopy
Computer simulation
Fluid flow
Fluids
Kaolinite
Mathematical models
Salt water
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Summary:GenMol super(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 S1 is a neutral brine (pH=7.5) leading to a possible attraction for apertures lower than 7 Aa. 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
ISSN:0022-0248
DOI:10.1016/j.jcrysgro.2010.08.012