Amélioration d'un champ de force pour la description des bordures de particules argileuses

Amélioration d'un champ de force pour la description des bordures de particules argileuses

Le champ de force CLAYFF est largement employé pour modéliser les interfaces de minéraux argileux – et minéraux apparentés – avec une phase aqueuse. Dans les simulations, les particules d’argile sont typiquement représentées par des feuillets semi-infinis, ainsi seules les surfaces parallèles au pla...

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Bibliographic Details
Main Author:	Pouvreau, Maxime
Other Authors:	Nantes, Ecole des Mines
Language:	fr
Published:	2016
Subjects:	Argile Eau Interface Bordure Champ de force Terme de déformation angulaire Groupes hydroxyles Liaison hydrogène Clay Water Edges Force field Bending term Hydroxyl groups Hydrogen bonding
Online Access:	http://www.theses.fr/2016EMNA0291/document

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