Molecular simulations of carbon dioxide and water: Cation solvation

Environmental Science and Technology

Volumn 47, Issue 1, 2013, Pages 87-94

  Criscenti, Louise J ^a   Cygan, Randall T ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CAPROCK; CARBON DIOXIDE SEQUESTRATION; CATION CHARGE; CATION SIZE; CATION SOLVATION; CLASSICAL MOLECULAR DYNAMICS; FLEXIBLE FORCE; ION SIZE; IONIC RADIUS; LIQUID CO; METAL CATION; MINERAL PHASIS; MOLECULAR SIMULATIONS; SEDIMENTARY RESERVOIRS; SIMPLE POINT CHARGE MODELS; SOLVATION ENERGY; SOLVATION SPHERE; SUPERCRITICAL CARBON DIOXIDES; SUPERCRITICAL CO; WATER MOLECULE;

CESIUM; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POSITIVE IONS; SOLVATION; SUPERCRITICAL FLUID EXTRACTION;

CARBON DIOXIDE;

CARBON DIOXIDE; CATION;

AQUEOUS SOLUTION; BRINE; CAP ROCK; CARBON DIOXIDE; CARBON SEQUESTRATION; MINERAL; MOLECULAR ANALYSIS; RESERVOIR CHARACTERIZATION; SUPERCRITICAL FLOW; WATER;

ARTICLE; CHEMICAL STRUCTURE; MOLECULAR DYNAMICS; SOLVATION; THERMODYNAMICS;

CARBON DIOXIDE; CARBON SEQUESTRATION; CATIONS; MOLECULAR DYNAMICS SIMULATION; SALTS; SOLUBILITY; WATER;

EID: 84871798083     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es301608c     Document Type: Article

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