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; 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

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

Domaine :

Chimie / Chimie théorique et/ou physique

Chimie / Matériaux

Planète et Univers [physics] / Sciences de la Terre / Minéralogie

Liste complète des métadonnées

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

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

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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

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Collections

Citation

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73

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