Olefin ring‐closing metathesis under spatial confinement : morphology-transport relationships

dc.contributor.authorTallarek, Ulrich
dc.contributor.authorHochstrasser, Janika
dc.contributor.authorZiegler, Felix
dc.contributor.authorHuang, Xiaohui
dc.contributor.authorKübel, Christian
dc.contributor.authorBuchmeiser, Michael R.
dc.date.accessioned2024-06-04T08:09:22Z
dc.date.available2024-06-04T08:09:22Z
dc.date.issued2020de
dc.date.updated2023-11-14T05:51:58Z
dc.description.abstractSpatial 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.en
dc.description.sponsorshipDeutsche Forschungsgemeinschaftde
dc.description.sponsorshipKarlsruhe Nano Micro Facility (KNMF)de
dc.description.sponsorshipProjekt DEALde
dc.identifier.issn1867-3899
dc.identifier.issn1867-3880
dc.identifier.other1891046659
dc.identifier.urihttp://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-144664de
dc.identifier.urihttp://elib.uni-stuttgart.de/handle/11682/14466
dc.identifier.urihttp://dx.doi.org/10.18419/opus-14447
dc.language.isoende
dc.relation.uridoi:10.1002/cctc.202001495de
dc.rightsinfo:eu-repo/semantics/openAccessde
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/de
dc.subject.ddc540de
dc.titleOlefin ring‐closing metathesis under spatial confinement : morphology-transport relationshipsen
dc.typearticlede
ubs.fakultaetChemiede
ubs.fakultaetFakultätsübergreifend / Sonstige Einrichtungde
ubs.institutInstitut für Polymerchemiede
ubs.institutFakultätsübergreifend / Sonstige Einrichtungde
ubs.publikation.seiten281-292de
ubs.publikation.sourceChemCatChem 13 (2021), S. 281-292de
ubs.publikation.typZeitschriftenartikelde

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