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Effects of local disorder in clay charge distribution on the adsorption and mobility of interlayer and interfacial aqueous species: MD simulations for new models of muscovite and montmorillonite with the CLAYFF force field

Andrey G. Kalinichev 1, * N. Loganathan 1 Brice F. Ngouana-Wakou 1
* Corresponding author
1 SUBATECH - Radiochimie
SUBATECH - Laboratoire SUBATECH Nantes
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http://hal.in2p3.fr/in2p3-01577702
Contributor : Andrey Kalinichev <>
Submitted on : Sunday, August 27, 2017 - 10:09:51 PM
Last modification on : Friday, June 7, 2019 - 6:10:03 PM

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  • HAL Id : in2p3-01577702, version 1

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IN2P3 | CNRS | UNIV-NANTES | SUBATECH | IMT-ATLANTIQUE | SUBATECH-RADIOCHIMIE

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Andrey G. Kalinichev, N. Loganathan, Brice F. Ngouana-Wakou. Effects of local disorder in clay charge distribution on the adsorption and mobility of interlayer and interfacial aqueous species: MD simulations for new models of muscovite and montmorillonite with the CLAYFF force field. 2nd International Workshop “Adsorption in Compliant Solids: Theory, Simulation, and Experiments, May 2013, Paris, France. ⟨in2p3-01577702⟩

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