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 | ||||
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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. |
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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 |
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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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