Tallarek, Ulrich ; Hochstrasser, Janika ; Ziegler, Felix ; Huang, Xiaohui ; Kübel, Christian ; Buchmeiser, Michael R. (2021)
Olefin ring‐closing metathesis under spatial confinement: morphology−transport relationships.
In: ChemCatChem, 13 (1)
doi: 10.1002/cctc.202001495
Artikel, Bibliographie

Kurzbeschreibung (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.

Typ des Eintrags:	Artikel
Erschienen:	2021
Autor(en):	Tallarek, Ulrich ; Hochstrasser, Janika ; Ziegler, Felix ; Huang, Xiaohui ; Kübel, Christian ; Buchmeiser, Michael R.
Art des Eintrags:	Bibliographie
Titel:	Olefin ring‐closing metathesis under spatial confinement: morphology−transport relationships
Sprache:	Englisch
Publikationsjahr:	2021
Ort:	Weinheim
Verlag:	Wiley-VCH
Titel der Zeitschrift, Zeitung oder Schriftenreihe:	ChemCatChem
Jahrgang/Volume einer Zeitschrift:	13
(Heft-)Nummer:	1
DOI:	10.1002/cctc.202001495
Zugehörige Links:	TUprints Zweitveröffentlichung
Kurzbeschreibung (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.
Alternatives oder übersetztes Abstract:	Alternatives Abstract Sprache 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. Englisch
Freie Schlagworte:	electron tomography, heterogeneous catalysis, hindered diffusion, mesoporous materials, metathesis
Zusätzliche Informationen:	This article also appears in: Catalysis in Confined Spaces
Sachgruppe der Dewey Dezimalklassifikatin (DDC):	600 Technik, Medizin, angewandte Wissenschaften > 660 Technische Chemie
Fachbereich(e)/-gebiet(e):	11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > In-Situ Elektronenmikroskopie
Hinterlegungsdatum:	13 Feb 2024 07:48
Letzte Änderung:	13 Feb 2024 07:48
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Verfügbare Versionen dieses Eintrags

• Olefin Ring‐closing Metathesis under Spatial Confinement: Morphology−Transport Relationships. (deposited 12 Feb 2024 13:55)
  • Olefin ring‐closing metathesis under spatial confinement: morphology−transport relationships. (deposited 13 Feb 2024 07:48) [Gegenwärtig angezeigt]

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