Binary mixture filtering using carbon nanotubes

D. Mantzalis, N. Asproulis, D. Drikakis

Research output: Contribution to conferenceOther

Abstract

Layering phenomena of carbon dioxide and argon transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined for carbon nanotubes spanning from (6, 6) to (30, 30) subjected to pressures ranging from 5-20 bar at 300 K. Well defined layers are developed into the internal surface of the nanotubes for all the examined cases. It is also shown that the number of layers along with their absolute strength varies as a function of the nanotube's diameter, carbon dioxide and argon's density and gas-structure interactions. Finally the diffusion into the interior region of the nanotubes has been examined showing a Fickian diffusion mode.

Conference

Conference13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011
Abbreviated titleCC 2011
CountryGreece
CityChania, Crete
Period6/09/119/09/11

Fingerprint

Binary Mixtures
Binary mixtures
Nanotubes
Carbon nanotubes
Carbon
Filtering
Argon
Carbon dioxide
Carbon Dioxide
Molecular dynamics
Molecular Dynamics Simulation
Computer simulation
Well-defined
Gases
Interior
Vary
Internal
Interaction

Keywords

  • binary mixtures
  • adsorption
  • molecular dynamics
  • diffusion
  • carbon nanotubes
  • Argon
  • carbon dioxide
  • environmental engineering

Cite this

Mantzalis, D., Asproulis, N., & Drikakis, D. (2011). Binary mixture filtering using carbon nanotubes. 13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011, Chania, Crete, Greece.
Mantzalis, D. ; Asproulis, N. ; Drikakis, D. / Binary mixture filtering using carbon nanotubes. 13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011, Chania, Crete, Greece.12 p.
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Mantzalis, D, Asproulis, N & Drikakis, D 2011, 'Binary mixture filtering using carbon nanotubes' 13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011, Chania, Crete, Greece, 6/09/11 - 9/09/11, .

Binary mixture filtering using carbon nanotubes. / Mantzalis, D.; Asproulis, N.; Drikakis, D.

2011. 13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011, Chania, Crete, Greece.

Research output: Contribution to conferenceOther

TY - CONF

T1 - Binary mixture filtering using carbon nanotubes

AU - Mantzalis, D.

AU - Asproulis, N.

AU - Drikakis, D.

PY - 2011/9/9

Y1 - 2011/9/9

N2 - Layering phenomena of carbon dioxide and argon transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined for carbon nanotubes spanning from (6, 6) to (30, 30) subjected to pressures ranging from 5-20 bar at 300 K. Well defined layers are developed into the internal surface of the nanotubes for all the examined cases. It is also shown that the number of layers along with their absolute strength varies as a function of the nanotube's diameter, carbon dioxide and argon's density and gas-structure interactions. Finally the diffusion into the interior region of the nanotubes has been examined showing a Fickian diffusion mode.

AB - Layering phenomena of carbon dioxide and argon transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined for carbon nanotubes spanning from (6, 6) to (30, 30) subjected to pressures ranging from 5-20 bar at 300 K. Well defined layers are developed into the internal surface of the nanotubes for all the examined cases. It is also shown that the number of layers along with their absolute strength varies as a function of the nanotube's diameter, carbon dioxide and argon's density and gas-structure interactions. Finally the diffusion into the interior region of the nanotubes has been examined showing a Fickian diffusion mode.

KW - binary mixtures

KW - adsorption

KW - molecular dynamics

KW - diffusion

KW - carbon nanotubes

KW - Argon

KW - carbon dioxide

KW - environmental engineering

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M3 - Other

ER -

Mantzalis D, Asproulis N, Drikakis D. Binary mixture filtering using carbon nanotubes. 2011. 13th International Conference on Civil, Structural and Environmental Engineering Computing, CC 2011, Chania, Crete, Greece.