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
* Auteur correspondant
1 SUBATECH - Radiochimie
SUBATECH - Laboratoire SUBATECH Nantes
Type de document :
Poster
2nd International Workshop “Adsorption in Compliant Solids: Theory, Simulation, and Experiments, May 2013, Paris, France
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http://hal.in2p3.fr/in2p3-01577702
Contributeur : Andrey Kalinichev <>
Soumis le : dimanche 27 août 2017 - 22:09:51
Dernière modification le : jeudi 5 avril 2018 - 10:37:00

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  • HAL Id : in2p3-01577702, version 1

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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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