Diffusion of single alkane molecule in carbon nanotube studied by molecular dynamics simulation

Polymer

Volumn 47, Issue 21, 2006, Pages 7607-7610

  Yang, Hua ^a   Liu, Yu ^a   Zhang, Hui ^b   Li, Ze Sheng ^c  

^a NANKAI UNIVERSITY   (China)

^b HARBIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^c JILIN UNIVERSITY   (China)

Author keywords

Alkane; Molecular dynamics simulation; Nanotube

Indexed keywords

CHEMICAL BONDS; DIFFUSION; GYRATORS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; PARAFFINS;

INTERMOLECULAR INTERACTION ENERGY; MOLECULAR DYNAMICS SIMULATIONS; SELF DIFFUSION; SINGLE WALL CARBON NANOTUBE (SWCNT);

CARBON NANOTUBES;

CARBON; DIFFUSION; NANOTUBE; SIMULATION;

EID: 33748747035     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2006.08.047     Document Type: Article

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