Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA

• Tipo: Artigo em Revista Científica Internacional
• Data: 2011

Autores

Garcia Perez, E (Autor) Outra; Barcia, PS (Autor) Outra; Silva, JAC (Autor) Outra; Alírio Rodrigues (Autor) FEUP; Calero, S (Autor) Outra

Revista

Título: Theoretical Chemistry Accounts

Vol. 128

Páginas: 695-703

ISSN: 1432-881X

Editora: Springer Nature

Indexação

ISI Web of Knowledge - 2 Citações

Scopus - 1 Citação

Outras Informações

ID Authenticus: P-002-TQZ

DOI: 10.1007/s00214-010-0769-8

Abstract (EN): 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 non-framework 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.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 9