Molecular dynamics simulations of carbon nanotube dispersions in water: Effects of nanotube length, diameter, chirality and surfactant structures

Computational Materials Science

Volumn 53, Issue 1, 2012, Pages 133-144

  Uddin, Nasir M ^a   Capaldi, Franco M ^a   Farouk, Bakhtier ^a  

^a Drexel University   (United States)

Author keywords

Carbon nanotubes; Dispersion; Molecular dynamics simulations; Potential of mean force; Surfactant

Indexed keywords

ADAPTIVE BIASING; AQUEOUS SUSPENSIONS; ATOMIC ARRANGEMENT; ATOMIC INTERACTIONS; BIOLOGICAL APPLICATIONS; CNT DISPERSION; DISPERSION IN WATER; FORCE METHOD; INTERACTION STRENGTH; MOLECULAR DYNAMICS SIMULATIONS; NANOTUBE DISPERSIONS; NANOTUBE LENGTHS; POTENTIAL OF MEAN FORCE; REINFORCED NANOCOMPOSITE; SINGLE-WALLED; SODIUM DODECYL SULFATE; SODIUM DODECYLBENZENE SULFONATE; SURFACTANT; SURFACTANT MOLECULES; SURFACTANT STRUCTURE;

BIOLOGICAL MATERIALS; CARBON; CARBON NANOTUBES; CHIRALITY; DIFFUSERS (OPTICAL); DISPERSION (WAVES); DYNAMICS; ENANTIOMERS; NANOCOMPOSITES; SODIUM; SODIUM SULFATE; STEREOCHEMISTRY; SURFACE ACTIVE AGENTS; SUSPENSIONS (FLUIDS);

MOLECULAR DYNAMICS;

EID: 80054721619     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.07.041     Document Type: Article

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