CO 2 adsorption-assisted CH 4 desorption on carbon models of coal surface: A DFT study

Applied Surface Science

Volumn 375, Issue , 2016, Pages 196-206

  Xu, He ^a,b   Chu, Wei ^a,b   Huang, Xia ^a   Sun, Wenjing ^c   Jiang, Chengfa ^a   Liu, Zhongqing ^a  

^a SICHUAN UNIVERSITY   (China)

^b Sichuan Provincial Engineering Technology Center for Environmental Protection Catalytic Materials   (China)

^c GUANGDONG MEDICAL UNIVERSITY   (China)

Author keywords

Adsorption Energy; Adsorption assisted desorption (AAD); Carbon surface model; CH 4 desorption; CO 2 adsorption; DFT simulation

Indexed keywords

ADSORPTION; AROMATIC COMPOUNDS; CARBON; COAL; COAL BED METHANE; COAL DEPOSITS; DENSITY FUNCTIONAL THEORY; DESORPTION; METAL RECOVERY; METHANE;

ADSORPTION ACTIVITY; ADSORPTION AND DESORPTIONS; ADSORPTION ENERGIES; AROMATIC CLUSTERS; CARBON SURFACE; CO2 ADSORPTION; DFT SIMULATION; ELECTROSTATIC POTENTIALS;

CARBON DIOXIDE;

EID: 84962467601     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2016.01.236     Document Type: Article

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