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http://dx.doi.org/10.18419/opus-14447
Autor(en): | Tallarek, Ulrich Hochstrasser, Janika Ziegler, Felix Huang, Xiaohui Kübel, Christian Buchmeiser, Michael R. |
Titel: | Olefin ring‐closing metathesis under spatial confinement : morphology-transport relationships |
Erscheinungsdatum: | 2020 |
Dokumentart: | Zeitschriftenartikel |
Seiten: | 281-292 |
Erschienen in: | ChemCatChem 13 (2021), S. 281-292 |
URI: | http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-144664 http://elib.uni-stuttgart.de/handle/11682/14466 http://dx.doi.org/10.18419/opus-14447 |
ISSN: | 1867-3899 1867-3880 |
Zusammenfassung: | Spatial confinement effects on hindered transport in mesoporous silica particles are quantified using reconstructions of their morphology obtained by electron tomography as geometrical models in direct diffusion simulations for passive, finite‐size tracers. We monitor accessible porosity and effective diffusion coefficients resulting from steric and hydrodynamic interactions between tracers and pore space confinement as a function of λ=dtracer/dmeso, the ratio of tracer to mean mesopore size. For λ=0, pointlike tracers reproduce the true diffusive tortuosities. For λ>0, derived hindrance factors quantify the extent to which diffusion through the materials is hindered compared with free diffusion in the bulk liquid. Morphology‐transport relationships are then discussed with respect to the immobilization, formation, and transport of key molecular species in the ring‐closing metathesis of an α,ω‐diene to macro(mono)cyclization product and oligomer, with a 2nd‐generation Hoveyda‐Grubbs type catalyst immobilized inside the mesopores of the particles. |
Enthalten in den Sammlungen: | 03 Fakultät Chemie |
Dateien zu dieser Ressource:
Datei | Beschreibung | Größe | Format | |
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CCTC_CCTC202001495.pdf | 1,89 MB | Adobe PDF | Öffnen/Anzeigen |
Diese Ressource wurde unter folgender Copyright-Bestimmung veröffentlicht: Lizenz von Creative Commons