Mobility and separation of linear and branched C<sub>5</sub> alkanes in UiO-66 (Zr) probed by <sup>2</sup>H NMR and MD simulations-Reference-Cited by-同舟云学术

Mobility and separation of linear and branched C₅ alkanes in UiO-66 (Zr) probed by ²H NMR and MD simulations

Published:2023 Issue:40 Volume:25 Page:27516-27523
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Khudozhitkov Alexander E.¹²^ORCID,Plekhanov Mikhail S.²,Arzumanov Sergei S.¹^ORCID,Kolokolov Daniil I.¹^ORCID,Stepanov Alexander G.¹^ORCID

Affiliation:

1. Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia

2. Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090, Russia

Abstract

Kinetic and thermodynamic separation of n-pentane and isopentane isomers by a dehydroxylated UiO-66 (Zr) metal–organic framework is explored using 2H NMR coupled with molecular dynamics (MD, GCMC MD) simulations.

Funder

Ministry of Science and Higher Education of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02601A

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