Theoretical study of mercury species adsorption mechanism on MnO2(110) surface

Chemical Engineering Journal

Volumn 256, Issue , 2014, Pages 93-100

  Zhang, Bingkai ^a   Liu, Jing ^a   Zheng, Chuguang ^a   Chang, Ming ^b  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b WUHAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Adsorption; Coal combustion; Density functional theory; Mercury

Indexed keywords

CALCULATIONS; CATALYTIC OXIDATION; COAL COMBUSTION; DENSITY FUNCTIONAL THEORY; DESORPTION; EQUILIBRIUM CONSTANTS; MANGANESE OXIDE; MERCURY (METAL);

ADSORPTION MECHANISM; ADSORPTION STRUCTURES; COAL FIRED FLUE GAS; ELECTRONIC STRUCTURAL CHANGES; FIRST-PRINCIPLES CALCULATION; PARTITION FUNCTIONS; POTENTIAL MATERIALS;

ADSORPTION;

EID: 84904403618     PISSN: 13858947     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cej.2014.07.008     Document Type: Article

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