Flue gas adsorption by single-wall carbon nanotubes: A Monte Carlo study
| Autor: | José M. Romero-Enrique, Luis Esquivias, M. I. Romero-Hermida, Víctor Morales-Flórez |
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| Rok vydání: | 2016 |
| Předmět: |
chemistry.chemical_classification
Flue gas Range (particle radiation) Materials science General Physics and Astronomy chemistry.chemical_element Nanotechnology 02 engineering and technology Carbon nanotube 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Nitrogen 0104 chemical sciences law.invention Adsorption chemistry Chemical engineering law Compounds of carbon Physical and Theoretical Chemistry 0210 nano-technology Selectivity Ternary operation |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname |
| Popis: | Adsorption of flue gases by single-wall carbon nanotubes (SWCNT) has been studied by means of Monte Carlo simulations. The flue gas is modeled as a ternary mixture of N2, CO2, and O2, emulating realistic compositions of the emissions from power plants. The adsorbed flue gas is in equilibrium with a bulk gas characterized by temperature T, pressure p, and mixture composition.We have considered different SWCNTs with different chiralities and diameters in a range between 7 and 20 Å. Our results show that the CO2 adsorption properties depend mainly on the bulk flue gas thermodynamic conditions and the SWCNT diameter. Narrow SWCNTs with diameter around 7 Å show high CO2 adsorption capacity and selectivity, but they decrease abruptly as the SWCNT diameter is increased. For wide SWCNT, CO2 adsorption capacity and selectivity, much smaller in value than for the narrow case, decrease mildly with the SWCNT diameter. In the intermediate range of SWCNT diameters, the CO2 adsorption properties may show a peculiar behavior, which depend strongly on the bulk flue gas conditions. Thus, for high bulk CO2 concentrations and low temperatures, the CO2 adsorption capacity remains high in a wide range of SWCNT diameters, although the corresponding selectivity is moderate.We correlate these findings with the microscopic structure of the adsorbed gas inside the SWCNTs. |
| Databáze: | OpenAIRE |
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