KIT | KIT-Bibliothek | Impressum | Datenschutz

Olefin Ring‐closing Metathesis under Spatial Confinement: Morphology−Transport Relationships

Tallarek, Ulrich; Hochstrasser, Janika; Ziegler, Felix; Huang, Xiaohui 1,2; Kübel, Christian ORCID iD icon 1,2; Buchmeiser, Michael R.
1 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)
2 Karlsruhe Nano Micro Facility (KNMF), Karlsruher Institut für Technologie (KIT)


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=d$_{tracer}$/d$_{meso}$, 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.

Verlagsausgabe §
DOI: 10.5445/IR/1000127973
Veröffentlicht am 25.01.2021
DOI: 10.1002/cctc.202001495
Zitationen: 18
Web of Science
Zitationen: 17
Zitationen: 18
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nanotechnologie (INT)
Karlsruhe Nano Micro Facility (KNMF)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 12.01.2021
Sprache Englisch
Identifikator ISSN: 1867-3880, 1867-3899
KITopen-ID: 1000127973
HGF-Programm 43.22.02 (POF III, LK 01) Nanocatalysis
Erschienen in ChemCatChem
Verlag Wiley-VCH Verlag
Band 13
Heft 1
Seiten 281-292
Vorab online veröffentlicht am 02.10.2020
Schlagwörter 2020-024-029294, TEM
Nachgewiesen in Scopus
Web of Science
KIT – Die Forschungsuniversität in der Helmholtz-Gemeinschaft
KITopen Landing Page