Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces

Journal of Hazardous Materials

Volumn 186, Issue 1, 2011, Pages 108-113

  Liu, Jing ^a   Cheney, Marcos A ^b   Wu, Fan ^a   Li, Meng ^a  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF MARYLAND EASTERN SHORE   (United States)

Author keywords

Coal combustion; Halogen; Mercury; Oxygen functional group

Indexed keywords

[CARBONYL; ACTIVE SITE; ADSORPTION CAPACITIES; ADSORPTION SITE; BASIS SETS; CARBONACEOUS SURFACE; CHEMICAL FUNCTIONAL GROUPS; EDGE-ATOMS; ELEMENTAL MERCURY; HALOGEN; HALOGEN ATOMS; INFLUENCE OF OXYGEN; MERCURY; MERCURY ADSORPTION; MOLECULAR LEVELS; OXYGEN FUNCTIONAL GROUP; OXYGEN FUNCTIONAL GROUPS; SEMIQUINONES; THEORETICAL STUDY;

ATOMS; CHEMISORPTION; COAL COMBUSTION; FUNCTIONAL GROUPS; HALOGEN ELEMENTS; MERCURY (METAL); OXYGEN; PHENOLS; PHYSISORPTION;

DENSITY FUNCTIONAL THEORY;

CARBOXYL GROUP; FUNCTIONAL GROUP; HALOGEN; MERCURY; PHENOL; SEMIQUINONE;

ADSORPTION; ENERGY EFFICIENCY; FREQUENCY ANALYSIS; FUNCTIONAL GROUP; HALOGEN; MERCURY (ELEMENT); MOLECULAR ANALYSIS; NUMERICAL MODEL; OPTIMIZATION; OXYGEN; THEORETICAL STUDY;

ADSORPTION; ARTICLE; ATOM; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HEAVY METAL REMOVAL; SIMULATION; SURFACE PROPERTY;

ADSORPTION; CARBON; MERCURY; MODELS, MOLECULAR; QUANTUM THEORY;

EID: 79551532786     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2010.10.089     Document Type: Article

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