Simulating adsorption of organic pollutants on finite (8,0) single-walled carbon nanotubes in water

Environmental Science and Technology

Volumn 46, Issue 16, 2012, Pages 8887-8894

  Zou, Mingying ^a   Zhang, Jinduo ^a   Chen, Jingwen ^a   Li, Xuehua ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CHEMICALS; CYCLOHEXANE; DENSITY FUNCTIONAL THEORY; NITROGEN OXIDES; POLYCYCLIC AROMATIC HYDROCARBONS; SINGLE-WALLED CARBON NANOTUBES (SWCN); THERMODYNAMICS;

ADSORPTION AFFINITY; ADSORPTION ENERGIES; ADSORPTION MECHANISM; AQUEOUS PHASE; BENZENE DERIVATIVES; ELECTRON-WITHDRAWING EFFECTS; ENHANCING EFFECT; EXPERIMENTAL VALUES; GASEOUS PHASE; GIBBS FREE ENERGY CHANGES; POLYCYCLIC AROMATIC HYDROCARBONS(PAHS); SIMPLE LINEAR REGRESSION; THERMODYNAMIC PARAMETER;

ADSORPTION;

ANILINE; BENZENE DERIVATIVE; CYCLOHEXANE; PHENOL; POLYCYCLIC AROMATIC HYDROCARBON; SINGLE WALLED NANOTUBE; TOLUENE;

ADSORPTION; GIBBS FREE ENERGY; HYDROPHOBICITY; NANOTECHNOLOGY; ORGANIC POLLUTANT; PAH; POLLUTION CONTROL; RISK ASSESSMENT; THERMODYNAMICS;

ADSORPTION; AQUEOUS SOLUTION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL INTERACTION; CONCENTRATION (PARAMETERS); CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ENTHALPY; ENTROPY; HYDROPHOBICITY; SIMULATION; THERMODYNAMICS; WATER POLLUTION;

EID: 84961977838     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es301370f     Document Type: Article

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