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

Tallarek, Ulrich ; Hochstrasser, Janika ; Ziegler, Felix ; Huang, Xiaohui ; Kübel, Christian ; Buchmeiser, Michael R. (2024)
Olefin Ring‐closing Metathesis under Spatial Confinement: Morphology−Transport Relationships.
In: ChemCatChem, 2021, 13 (1)
doi: 10.26083/tuprints-00017812
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Item Type: Article
Type of entry: Secondary publication
Title: Olefin Ring‐closing Metathesis under Spatial Confinement: Morphology−Transport Relationships
Language: English
Date: 12 February 2024
Place of Publication: Darmstadt
Year of primary publication: 2021
Place of primary publication: Weinheim
Publisher: Wiley-VCH
Journal or Publication Title: ChemCatChem
Volume of the journal: 13
Issue Number: 1
DOI: 10.26083/tuprints-00017812
Corresponding Links:
Origin: Secondary publication DeepGreen
Abstract:

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.

Alternative Abstract:
Alternative AbstractLanguage

Unravelling spatial confinement effects: Expressions for accessible porosity and hindered diffusion in mesoporous silicas derived from pore-scale simulations in 3D reconstructions reveal consequences for catalyst immobilization as well as the formation and transport of products in olefin ring-closing metathesis utilizing spatial confinement effects.

English
Uncontrolled Keywords: electron tomography, heterogeneous catalysis, hindered diffusion, mesoporous materials, metathesis
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-178125
Additional Information:

This article also appears in: Catalysis in Confined Spaces

Classification DDC: 600 Technology, medicine, applied sciences > 660 Chemical engineering
Divisions: 11 Department of Materials and Earth Sciences > Material Science > In-situ electron microscopy
Date Deposited: 12 Feb 2024 13:55
Last Modified: 03 Jul 2024 09:53
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/17812
PPN: 51932157X
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