Utilize este identificador para referenciar este registo: http://hdl.handle.net/10198/6373
Título: Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA
Autor: Garcia-Perez, Elena
Bárcia, Patrick da Silva
Silva, José A.C.
Rodrigues, A.E.
Calero, Sofia
Palavras-chave: Zeolites
Adsorption
Sumulations
Monte Carlo
Data: 2011
Citação: Silva, José A.C.; Garcia-Perez, Elena; Rodrigues, Alirio; Bárcia, Patrick da Silva; Calero, Sofia (2011) - Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA. Theoretical Chemistry Accounts. ISSN: 1432-881X. 128, p. 695-703
Resumo: We have performed configurational-bias Monte Carlo simulations to compute pure component adsorption isotherms of n-hexane, 3-methylpentane and 2,2-dimethylbutane in BEA-Polymorphs A and B at 423 K. The effect of the density and nature of influence of non-framework cations was systematically analyzed. Our results show that differences in the type and concentration of the nonframework cations lead to differences in adsorption loading. We found that this behavior is directly related to the preferential adsorption sites of the isomers as well as to the amount and location of the non-framework cations.
Peer review: yes
URI: http://hdl.handle.net/10198/6373
Aparece nas colecções:DTQB - Artigos em Revistas Indexados ao ISI/Scopus



FacebookTwitterDeliciousLinkedInDiggGoogle BookmarksMySpace
Formato BibTex MendeleyEndnote Degois 

Todos os registos no repositório estão protegidos por leis de copyright, com todos os direitos reservados.