Molecular dynamics study of selective adsorption of PCB on activated carbon

Fluid Phase Equilibria

Volumn 307, Issue 1, 2011, Pages 58-65

  Jensen, Bjørnar ^a   Kuznetsova, Tatiana ^a   Kvamme, Bjørn ^a   Oterhals, Åge ^b  

^a UNIVERSITY OF BERGEN   (Norway)

^b NOFIMA   (Norway)

Author keywords

Activated carbon; Adsorption; Molecular dynamics; PCB

Indexed keywords

ADSORPTION EFFICIENCY; ADSORPTION ENERGIES; AROMATIC RINGS; ATOMIC CHARGE; CLOUD OVERLAP; COMPLETE SYSTEM; ENERGY CRITERION; FISH OIL; FORCE FIELDS; GRAPHITE SHEETS; GRAPHITIC CARBONS; MOLECULAR FORCE FIELD; MOLECULAR GEOMETRIES; MOLECULAR PLANARITY; PCB CONGENERS; PLANAR ORIENTATION; PRODUCTION RUN; QUANTUM CHEMICAL CALCULATIONS; SELECTIVE ADSORPTION; SOLVATION MODELS; TRIACYLGLYCEROLS; TRIOLEIN;

ACTIVATED CARBON; ADSORPTION; DIHEDRAL ANGLE; GLYCEROL; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; OLEIC ACID; POLYCHLORINATED BIPHENYLS; QUANTUM CHEMISTRY;

ORGANIC POLLUTANTS;

EID: 79959511898     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2011.05.001     Document Type: Article

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