Ab initio-based mercury oxidation kinetics via bromine at postcombustion flue gas conditions

Energy and Fuels

Volumn 25, Issue 4, 2011, Pages 1348-1356

  Wilcox, Jennifer ^a   Okano, Terumi ^a,b  

^a STANFORD UNIVERSITY   (United States)

^b Ze gen Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO METHOD; BOND DISTANCE; BROMINE OXIDATION; COAL COMPOSITION; COUPLED-CLUSTER METHODS; EFFICIENT CONTROL; ELECTRONIC STRUCTURE CALCULATIONS; ELEMENTAL MERCURY; GAS CONDITIONS; GAS ENVIRONMENT; MERCURY MEASUREMENTS; MERCURY OXIDATIONS; MERCURY SPECIATIONS; OPERATING CONDITION; PLANT EQUIPMENTS; POST-COMBUSTION; REACTION ENTHALPIES; VIBRATIONAL FREQUENCIES; WET SCRUBBERS;

BROMINE; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EQUILIBRIUM CONSTANTS; FLUE GASES; FLUES; MERCURY (METAL); OXIDATION; RATE CONSTANTS; SCRUBBERS;

COAL COMBUSTION;

EID: 79955386643     PISSN: 08870624     EISSN: 15205029     Source Type: Journal    
DOI: 10.1021/ef101763r     Document Type: Article

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