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<datestamp>2018-01-11</datestamp>
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<title lang=en>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</title>
<creator>Pepe, G.</creator>
<creator>Dweik, Jalal</creator>
<creator>Jouanna, P.</creator>
<creator>Gouze, Philippe</creator>
<creator>Andreani, M.</creator>
<creator>Luquot, Linda</creator>
<contributor>Centre Interdisciplinaire de Nanoscience de Marseille (CINaM) ; Aix Marseille Université (AMU) - Centre National de la Recherche Scientifique (CNRS)</contributor>
<contributor>Géosciences Montpellier ; Université des Antilles et de la Guyane (UAG) - Institut national des sciences de l'Univers (INSU - CNRS) - Université de Montpellier (UM) - Centre National de la Recherche Scientifique (CNRS)</contributor>
<contributor>Laboratoire de Sciences de la Terre (LST) ; École normale supérieure - Lyon (ENS Lyon) - Université Claude Bernard Lyon 1 (UCBL) - Institut national des sciences de l'Univers (INSU - CNRS) - Centre National de la Recherche Scientifique (CNRS)</contributor>
<description>International audience</description>
<source>ISSN: 0022-0248</source>
<source>Journal of Crystal Growth</source>
<publisher>Elsevier</publisher>
<identifier>hal-00544678</identifier>
<identifier>https://hal.archives-ouvertes.fr/hal-00544678</identifier>
<source>https://hal.archives-ouvertes.fr/hal-00544678</source>
<source>Journal of Crystal Growth, Elsevier, 2010, 312 (22), pp.3308-3315. 〈10.1016/j.jcrysgro.2010.08.012〉</source>
<identifier>DOI : 10.1016/j.jcrysgro.2010.08.012</identifier>
<relation>info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jcrysgro.2010.08.012</relation>
<language>en</language>
<subject lang=en>Computer simulation</subject>
<subject lang=en>Interfaces</subject>
<subject lang=en>Mineral</subject>
<subject>[SDU.STU.MI] Sciences of the Universe [physics]/Earth Sciences/Mineralogy</subject>
<type>info:eu-repo/semantics/article</type>
<type>Journal articles</type>
<description lang=en>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.</description>
<date>2010</date>
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