Quantum chemical calculations of sulfate adsorption at the AI- and Fe-(hydr)oxide-H2O interface - Estimation of gibbs free energies

Environmental Science and Technology

Volumn 40, Issue 24, 2006, Pages 7717-7724

  Paul, Kristian W ^a   Kubicki, James D ^b   Sparks, Donald L ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; GIBBS FREE ENERGY; QUANTUM THEORY; THERMODYNAMIC PROPERTIES;

BIDENTATE BRIDGING; MONODENTATE SULFATE; SULFATE;

SULFUR COMPOUNDS;

ALUMINUM HYDROXIDE; FERRIC HYDROXIDE; MINERAL; WATER;

ADSORPTION; GIBBS FREE ENERGY; QUANTUM THEORY; SULFUR COMPOUNDS; THERMODYNAMIC PROPERTIES;

ADSORPTION; ALUMINUM OXIDE; ESTIMATION METHOD; GIBBS FREE ENERGY; INTERFACE; IRON HYDROXIDE; IRON OXIDE; QUANTUM MECHANICS; SULFATE;

ADSORPTION; ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY; QUANTUM CHEMISTRY; SOIL POLLUTANT; STOICHIOMETRY; THERMODYNAMICS; WATER POLLUTANT;

ADSORPTION; ALUMINUM HYDROXIDE; FERRIC COMPOUNDS; MODELS, MOLECULAR; QUANTUM THEORY; SULFATES; THERMODYNAMICS; WATER;

EID: 33845806112     PISSN: 0013936X     EISSN: None     Source Type: Journal    
DOI: 10.1021/es061139y     Document Type: Article

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