Interlayer structure model of tri-hydrated low-charge smectite by X-ray diffraction and Monte Carlo modeling in the Grand Canonical ensemble

American Mineralogist

Volumn 99, Issue 8-9, 2014, Pages 1724-1735

  Dazas, Baptiste ^a   Ferrage, Eric ^c   Delville, Alfred ^d   Lanson, Bruno ^a,b  

^a UNIV GRENOBLE ALPES   (France)

^b CNRS   (France)

^c UNIVERSITÉ DE POITIERS   (France)

^d UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

Crystal structure; Monte Carlo; montmorillonite; simulation; smectite water; tri hydrated; water in smectite interlayer; X ray diffraction

Indexed keywords

ATOMS; BARIUM METALLOGRAPHY; CLAY MINERALS; CRYSTAL ATOMIC STRUCTURE; CRYSTAL STRUCTURE; HYDRATES; HYDRATION; MAGNESIUM METALLOGRAPHY; MOLECULES; POPULATION DISTRIBUTION; POSITIVE IONS; SODIUM METALLOGRAPHY; WETTING; X RAY DIFFRACTION;

ATOMIC DENSITY DISTRIBUTION; EXPERIMENTAL VALIDATIONS; GRAND CANONICAL ENSEMBLE; GRAND CANONICAL MONTE CARLO SIMULATION; SIMULATION; SMECTITES; TRI-HYDRATED; WATER SATURATED CONDITIONS;

MONTE CARLO METHODS;

CANONICAL ANALYSIS; CRYSTAL STRUCTURE; CRYSTALLIZATION; CRYSTALLOGRAPHY; EXPERIMENTAL MINERALOGY; MONTE CARLO ANALYSIS; MONTMORILLONITE; SMECTITE; X-RAY DIFFRACTION;

EID: 84906991516     PISSN: 0003004X     EISSN: 19453027     Source Type: Journal    
DOI: 10.2138/am.2014.4846     Document Type: Article

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