Molecular level simulation of the adsorption of bisphenol A and 17α-ethinyl estradiol onto carbon nanomaterials

Separation and Purification Technology

Volumn 116, Issue , 2013, Pages 471-478

  Boateng, Linkel K ^a   Heo, Jiyong ^a   Flora, Joseph R V ^a   Park, Yong Gyun ^b   Yoon, Yeomin ^a  

^a The Department of Mechanical Engineering   (United States)

^b GS Engineering and Construction Corp   (South Korea)

Author keywords

17 Ethinyl estradiol; Adsorption; Bisphenol A; Carbon nanomaterials; Free energy; Molecular dynamics

Indexed keywords

BIS-PHENOL A; CARBON NANO-MATERIALS; ENDOCRINE DISRUPTING COMPOUND; ETHINYL ESTRADIOL; MOLECULAR DYNAMICS SIMULATIONS; POISSON BOLTZMANN SURFACE AREAS (PBSA); PREFERENTIAL SORPTION; SINGLE-WALLED CARBON NANOTUBE (SWNTS);

BINDING ENERGY; ENDOCRINOLOGY; EXPERIMENTS; FREE ENERGY; GRAPHENE; IONIC STRENGTH; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; SINGLE-WALLED CARBON NANOTUBES (SWCN);

ADSORPTION;

EID: 84880306302     PISSN: 13835866     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.seppur.2013.06.028     Document Type: Article

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