Influence of isomorphous substitution in MFI-type materials on the diffusion of n-hexane: Molecular dynamic studies
Theoretical studies of the behaviour of an adsorption system MFI/ n-hexane were performed with a molecular dynamic method. Investigation of influence of isomorphous substitution on diffusion coefficients was the main objective. It was found that the presence of metals other than silicon in the zeoli...
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| Veröffentlicht in: | Applied surface science 2007-04, Vol.253 (13), p.5692-5695 |
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| container_title | Applied surface science |
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| creator | Wloch, J. |
| description | Theoretical studies of the behaviour of an adsorption system MFI/
n-hexane were performed with a molecular dynamic method. Investigation of influence of isomorphous substitution on diffusion coefficients was the main objective. It was found that the presence of metals other than silicon in the zeolite framework might cause an increase in the diffusion coefficients. However, it is small, independently of the adsorption level. |
| doi_str_mv | 10.1016/j.apsusc.2006.12.047 |
| format | Article |
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| ispartof | Applied surface science, 2007-04, Vol.253 (13), p.5692-5695 |
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| language | eng |
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| source | Elsevier ScienceDirect Journals Complete |
| subjects | Chemistry Cross-disciplinary physics: materials science rheology Deformation material flow Diffusion Exact sciences and technology Fundamentals and general General and physical chemistry Ion-exchange Isomorphic substitution MD simulation Physics Rheology Surface physical chemistry Zeolites Zeolites: preparations and properties |
| title | Influence of isomorphous substitution in MFI-type materials on the diffusion of n-hexane: Molecular dynamic studies |
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