Molecular dynamics simulation of adsorption of pyrene-polyethylene glycol onto graphene

Journal of Colloid and Interface Science

Volumn 418, Issue , 2014, Pages 66-73

  Xu, Liyan ^a   Yang, Xiaoning ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

Adsorption; Graphene; Molecular simulation; Py PEG polymer; Pyrene

Indexed keywords

ADSORPTION PERFORMANCE; HYDROGEN BONDING INTERACTIONS; INTERACTION CONTRIBUTIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; SELF-ASSEMBLY MORPHOLOGY; SURFACE FUNCTIONALIZATION; THERMODYNAMIC FREE-ENERGY;

ADSORPTION; BINDING ENERGY; CHAINS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; POLYETHYLENE GLYCOLS; POLYMERS; PYRENE;

GRAPHENE;

CARBON; GRAPHENE; HYDROGEN; MACROGOL; POLYMER; PYRENE; PYRENE DERIVATIVE; PYRENE POLYETHYLENE GLYCOL; SOLVENT; UNCLASSIFIED DRUG; WATER;

ADSORPTION KINETICS; AQUEOUS SOLUTION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONTROLLED STUDY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULE; PARTICLE SIZE; POLYMERIZATION; PRIORITY JOURNAL; SURFACE PROPERTY;

EID: 84891320497     PISSN: 00219797     EISSN: 10957103     Source Type: Journal    
DOI: 10.1016/j.jcis.2013.12.005     Document Type: Article

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