Adsorption energies of mercury-containing species on CaO and temperature effects on equilibrium constants predicted by density functional theory calculations

Langmuir

Volumn 25, Issue 5, 2009, Pages 2781-2789

  Kim, Bo Gyeong ^a   Li, Xinxin ^a   Blowers, Paul ^a  

^a University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION CAPACITIES; ADSORPTION ENERGIES; ADSORPTION ON METALS; ADSORPTION SYSTEMS; CHLORINE ATOMS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EFFECT OF TEMPERATURES; ELEMENTAL MERCURIES; OXIDATION STATE; OXIDIZED MERCURIES; SURFACE MODELS; TEMPERATURE EFFECTS; TEMPERATURE INCREASE; TEMPERATURE RANGES;

CHLORINE; DENSITY FUNCTIONAL THEORY; EQUILIBRIUM CONSTANTS; MERCURY (METAL); MERCURY COMPOUNDS; SORPTION; SURFACE PROPERTIES; TEMPERATURE; THERMAL EFFECTS;

PHYSISORPTION;

EID: 65249103867     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la803310w     Document Type: Article

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