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Título: | A computational study of CO2, N2, and CH4 adsorption in zeolites |
Autor: | García-Pérez, E.; Parra Soto, José Bernardo CSIC ORCID ; Ovín Ania, María Concepción CSIC ORCID ; García Sánchez, Antonio CSIC; Van Baten, J. M.; Krishna, R.; Dubbeldam, D.; Calero, S. | Palabras clave: | Adsorption isotherms Zeolites Separations Carbon dioxide Methane Nitrogen |
Fecha de publicación: | 20-sep-2007 | Editor: | Springer Nature | Citación: | Adsorption 13(5-6): 469-476 (2007) | Resumen: | The adsorption properties of CO2, N2 and CH4 in all-silica zeolites were studied using molecular simulations. Adsorption isotherms for single components in MFI were both measured and computed showing good agreement. In addition simulations in other all silica structures were performed for a wide range of pressures and temperatures and for single components as well as binary and ternary mixtures with varying bulk compositions. The adsorption selectivity was analyzed for mixtures with bulk composition of 50:50 CO2/CH4, 50:50 CO2/N2, 10:90 CO2/N2 and 5:90:5 CO2/N2/CH4 in MFI, MOR, ISV, ITE, CHA and DDR showing high selectivity of adsorption of CO2 over N2 and CH4 that varies with the type of crystal and with the mixture bulk composition. | Descripción: | 8 pages, 8 figures.-- Printed version published Dec 2007. | Versión del editor: | http://dx.doi.org/10.1007/s10450-007-9039-z | URI: | http://hdl.handle.net/10261/10998 | DOI: | 10.1007/s10450-007-9039-z | ISSN: | 0929-5607 | E-ISSN: | 1572-8757 |
Aparece en las colecciones: | (INCAR) Artículos |
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computational_Ovin.pdf | 159,75 kB | Adobe PDF | Visualizar/Abrir |
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