Removal of a hazardous heavy metal from aqueous solution using functionalized graphene and boron nitride nanosheets: Insights from simulations

Journal of Molecular Graphics and Modelling

Volumn 61, Issue , 2015, Pages 13-20

  Azamat, Jafar ^a   Sattary, Batoul Shirforush ^a   Khataee, Alireza ^a   Joo, Sang Woo ^b  

^a UNIVERSITY OF TABRIZ   (Iran)

^b Yeungnam University   (South Korea)

Author keywords

Boron nitride nanosheet; Graphene; Heavy metal; Nanostructured membrane; Potential of mean force

Indexed keywords

AUTOCORRELATION; BORON NITRIDE; DISTRIBUTION FUNCTIONS; GRAPHENE; HEAVY METALS; HYDROGEN BONDS; IONS; NANOSHEETS; NITRIDES; RESIDENCE TIME DISTRIBUTION; SOLUTIONS; ZINC; ZINC CHLORIDE;

AQUEOUS IONIC SOLUTIONS; AUTOCORRELATION FUNCTIONS; BORON NITRIDE NANOSHEETS; FUNCTIONALIZED GRAPHENE; HAZARDOUS HEAVY METALS; NANOSTRUCTURED MEMBRANES; POTENTIAL OF MEAN FORCE; RADIAL DISTRIBUTION FUNCTIONS;

CHEMICALS REMOVAL (WATER TREATMENT);

BORON NITRIDE NANOTUBE; CHLORIDE ION; GRAPHENE; HEAVY METAL; WATER; ZINC CHLORIDE; ZINC ION; BORON DERIVATIVE; BORON NITRIDE; DIVALENT CATION; DRINKING WATER; GRAPHITE; NANOMATERIAL; WASTE WATER; WATER POLLUTANT; ZINC;

AQUEOUS SOLUTION; ARTICLE; COMPUTER SIMULATION; ELECTRIC FIELD; ELECTRIC POTENTIAL; HEAVY METAL REMOVAL; HYDROGEN BOND; ION TRANSPORT; MOLECULAR DYNAMICS; PRIORITY JOURNAL; CHEMISTRY; HUMAN; ISOLATION AND PURIFICATION; KINETICS; POROSITY; THERMODYNAMICS; WASTE WATER; WATER MANAGEMENT; WATER POLLUTANT;

BORON COMPOUNDS; CATIONS, DIVALENT; DRINKING WATER; GRAPHITE; HUMANS; HYDROGEN BONDING; KINETICS; MOLECULAR DYNAMICS SIMULATION; NANOSTRUCTURES; POROSITY; THERMODYNAMICS; WASTE WATER; WATER POLLUTANTS, CHEMICAL; WATER PURIFICATION; ZINC;

EID: 84937558358     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2015.06.012     Document Type: Article

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