Artículo
Flue gas adsorption by single-wall carbon nanotubes: A Monte Carlo study
Autor/es | Romero Hermida, Isabel
Romero Enrique, José Manuel Morales Flórez, Víctor Esquivias Fedriani, Luis María |
Departamento | Universidad de Sevilla. Departamento de Física de la Materia Condensada Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear |
Fecha de publicación | 2016 |
Fecha de depósito | 2016-11-30 |
Publicado en |
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Resumen | 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 ... 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 consid- ered 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. |
Agencias financiadoras | Ministerio de Economía y Competitividad (MINECO). España |
Identificador del proyecto | info:eu-repo/grantAgreement/MINECO/MAT2013-42934-R
info:eu-repo/grantAgreement/MINECO/FIS2012-32455 |
Cita | Romero Hermida, I., Romero Enrique, J.M., Morales Flórez, V. y Esquivias Fedriani, L.M. (2016). Flue gas adsorption by single-wall carbon nanotubes: A Monte Carlo study. Journal of Chemical Physics, 145 (7), 074701-. |
Ficheros | Tamaño | Formato | Ver | Descripción |
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Flue gas adsoption.pdf | 1.083Mb | [PDF] | Ver/ | |