Molecular simulation of confined fluids in carbon nanotubes
The unique properties of carbon nanotubes (CNTs) have given rise to many potential and important applications while many of which involve confined fluids in equilibrium. Thus we employ molecular simulation methodology to study especially the phase behaviors of confined fluids of CNTs. Given the larg...
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| Other Authors: | |
| Format: | Final Year Project (FYP) |
| Language: | English |
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2009
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| Online Access: | http://hdl.handle.net/10356/16461 |
| _version_ | 1811682951396589568 |
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| author | Lu, Ting Ting. |
| author2 | Kwak Sang Kyu |
| author_facet | Kwak Sang Kyu Lu, Ting Ting. |
| author_sort | Lu, Ting Ting. |
| collection | NTU |
| description | The unique properties of carbon nanotubes (CNTs) have given rise to many potential and important applications while many of which involve confined fluids in equilibrium. Thus we employ molecular simulation methodology to study especially the phase behaviors of confined fluids of CNTs. Given the large possible range of indices (n,m) available, metallic CNTs, whose n-m is divisible by 3, are particularly our main area of focus. Interactions of fluid-CNT and carbon-carbon are simulated using well-known model potentials, such as Lennard-Jones and Brenner. Properties of equation of state, which includes confined fluid, solid, and the first-order phase transition, are to be obtained as well as density distributions for probing any involvement of structural changes. |
| first_indexed | 2024-10-01T04:05:00Z |
| format | Final Year Project (FYP) |
| id | ntu-10356/16461 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T04:05:00Z |
| publishDate | 2009 |
| record_format | dspace |
| spelling | ntu-10356/164612023-03-03T15:34:28Z Molecular simulation of confined fluids in carbon nanotubes Lu, Ting Ting. Kwak Sang Kyu School of Chemical and Biomedical Engineering DRNTU::Engineering::Nanotechnology The unique properties of carbon nanotubes (CNTs) have given rise to many potential and important applications while many of which involve confined fluids in equilibrium. Thus we employ molecular simulation methodology to study especially the phase behaviors of confined fluids of CNTs. Given the large possible range of indices (n,m) available, metallic CNTs, whose n-m is divisible by 3, are particularly our main area of focus. Interactions of fluid-CNT and carbon-carbon are simulated using well-known model potentials, such as Lennard-Jones and Brenner. Properties of equation of state, which includes confined fluid, solid, and the first-order phase transition, are to be obtained as well as density distributions for probing any involvement of structural changes. Bachelor of Engineering (Chemical and Biomolecular Engineering) 2009-05-26T06:41:14Z 2009-05-26T06:41:14Z 2009 2009 Final Year Project (FYP) http://hdl.handle.net/10356/16461 en Nanyang Technological University 84 p. application/pdf |
| spellingShingle | DRNTU::Engineering::Nanotechnology Lu, Ting Ting. Molecular simulation of confined fluids in carbon nanotubes |
| title | Molecular simulation of confined fluids in carbon nanotubes |
| title_full | Molecular simulation of confined fluids in carbon nanotubes |
| title_fullStr | Molecular simulation of confined fluids in carbon nanotubes |
| title_full_unstemmed | Molecular simulation of confined fluids in carbon nanotubes |
| title_short | Molecular simulation of confined fluids in carbon nanotubes |
| title_sort | molecular simulation of confined fluids in carbon nanotubes |
| topic | DRNTU::Engineering::Nanotechnology |
| url | http://hdl.handle.net/10356/16461 |
| work_keys_str_mv | AT lutingting molecularsimulationofconfinedfluidsincarbonnanotubes |