Multiphase Monte Carlo and Molecular Dynamics Simulations of Water and CO2 Intercalation in Montmorillonite and Beidellite

Journal of Physical Chemistry C

Volumn 119, Issue 27, 2015, Pages 15112-15124

  Makaremi, Meysam ^a,b,c   Jordan, Kenneth D ^a,b   Guthrie, George D ^a,e   Myshakin, Evgeniy M ^a,d  

^a NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^b UNIVERSITY OF PITTSBURGH   (United States)

^c University of Pittsburgh   (United States)

^d AECOM   (United States)

^e LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AQUIFERS; CARBON DIOXIDE; CLAY MINERALS; FREE ENERGY; HYDRATION; HYDROGEOLOGY; INTELLIGENT SYSTEMS; METAL IONS; MOLECULAR DYNAMICS; MONOLAYERS; MONTE CARLO METHODS;

GEOLOGICAL STORAGE; GIBBS ENSEMBLE MONTE CARLO SIMULATIONS; INTERLAYER REGIONS; ISOMORPHIC SUBSTITUTION; MOLECULAR DYNAMICS SIMULATIONS; MONOLAYER STRUCTURES; NA-MONTMORILLONITE; PRESSURE AND TEMPERATURE;

SODIUM COMPOUNDS;

EID: 84936865169     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b01754     Document Type: Article

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