Optimal Single-Walled Carbon Nanotube Vessels for Short-Term Reversible Storage of Carbon Dioxide at Ambient Temperatures
| Autor: | Piotr A. Gauden, Piotr Kowalczyk, Artur P. Terzyk, S. Furmaniak |
|---|---|
| Rok vydání: | 2010 |
| Předmět: |
Pore size
Materials science Monte Carlo method Nanotechnology Carbon nanotube Co2 adsorption Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention chemistry.chemical_compound Hydrogen storage General Energy chemistry Chemical engineering law Carbon dioxide Gravimetric analysis Metal-organic framework Physical and Theoretical Chemistry |
| Zdroj: | The Journal of Physical Chemistry C. 114:21465-21473 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/jp106547j |
| Popis: | Optimized light vessels composed of single-walled carbon nanotubes have high gravimetric and volumetric capacity for short-term reversible storage of CO2 at 298 K and near-ambient operating pressures. We use grand canonical Monte Carlo simulation for modeling of CO2 adsorption at 298 K and pressures up to 5.7 MPa. It is shown that both gravimetric and volumetric uptake of CO2 strongly depend on the pore size in nanotubes but not on their chiral vector. Moreover, for any operating storage pressure, a unique optimal size of carbon nanotubes is well-defined. At 1.5 MPa, the most efficient nanotubes that maximize both gravimetric and volumetric uptake of CO2 (i.e., 13.6 mmol g−1 and 11.4 mol dm−3) have diameters of 3.8 nm. This size corresponds to the (28,28) armchair nanotubes. For a higher operating pressure of 3.5 MPa, the optimal diameter of carbon nanotubes is slightly shifted up to 4.8 nm (i.e., 25.3 mmol g−1 and 16.7 mol dm−3). This size corresponds to the (36,36) armchair nanotubes. We demonstrate tha... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|