Standard

Dynamics in nanoporous materials probed by 2H solid state NMR : estimation of self-diffusion coefficients. / Kolokolov, Daniil I.; Freude, Dieter; Stepanov, Alexander G.

In: Adsorption, Vol. 27, No. 5, 07.2021, p. 841-855.

Research output: Contribution to journal › Article › peer-review

Harvard

Kolokolov, DI, Freude, D & Stepanov, AG 2021, 'Dynamics in nanoporous materials probed by 2H solid state NMR: estimation of self-diffusion coefficients', Adsorption, vol. 27, no. 5, pp. 841-855. https://doi.org/10.1007/s10450-020-00256-x

APA

Kolokolov, D. I., Freude, D., & Stepanov, A. G. (2021). Dynamics in nanoporous materials probed by 2H solid state NMR: estimation of self-diffusion coefficients. Adsorption, 27(5), 841-855. https://doi.org/10.1007/s10450-020-00256-x

Vancouver

Kolokolov DI, Freude D, Stepanov AG. Dynamics in nanoporous materials probed by 2H solid state NMR: estimation of self-diffusion coefficients. Adsorption. 2021 Jul;27(5):841-855. doi: 10.1007/s10450-020-00256-x

Author

Kolokolov, Daniil I. ; Freude, Dieter ; Stepanov, Alexander G. / Dynamics in nanoporous materials probed by 2H solid state NMR : estimation of self-diffusion coefficients. In: Adsorption. 2021 ; Vol. 27, No. 5. pp. 841-855.

BibTeX

@article{3296f11bf5a8490c84f031e2cfb6a644,
title = "Dynamics in nanoporous materials probed by 2H solid state NMR: estimation of self-diffusion coefficients",
abstract = "2H solid-state NMR represents a reliable method for probing the dynamics of the molecules in confined geometries, including microporous and mesoporous materials such as zeolites or metal–organic frameworks (MOFs). Dynamic characteristics derived from analyses of 2H NMR line shape and spin relaxation for adsorbed deuterated molecules can be related with translational motions along the porous framework. This opens up the possibility to use 2H NMR for probing self-diffusion within porous materials. Herein we discuss the basic principles and approaches that can be used to derive the information on diffusion coefficients based on analysis of the dynamics of confined molecules by 2H NMR. We discuss the corresponding possibilities and limitations of 2H NMR compared to other experimental methods, such QENS and PFG NMR. Several examples for estimation of diffusion coefficients by 2H NMR for alkanes, olefins, alcohol, benzene, pyridine in zeolites and MOFs are provided.",
keywords = "H solid-state NMR, Dynamics in confined geometries, Einstein equation for diffusivity, Hydrocarbons, Metal–organic frameworks (MOFs), Self-diffusion, Zeolites, MOLECULAR-DYNAMICS, BENZENE, H-2 solid-state NMR, ETHENE MOLECULES, MOBILITY, NUCLEAR-MAGNETIC-RESONANCE, PROPENE, MIXTURES, ZEOLITE ZSM-5, MOTION, Metal-organic frameworks (MOFs), ISOBUTANE",
author = "Kolokolov, {Daniil I.} and Dieter Freude and Stepanov, {Alexander G.}",
year = "2021",
month = jul,
doi = "10.1007/s10450-020-00256-x",
language = "English",
volume = "27",
pages = "841--855",
journal = "Adsorption",
issn = "0929-5607",
publisher = "Springer Netherlands",
number = "5",

}

RIS

TY - JOUR

T1 - Dynamics in nanoporous materials probed by 2H solid state NMR

T2 - estimation of self-diffusion coefficients

AU - Kolokolov, Daniil I.

AU - Freude, Dieter

AU - Stepanov, Alexander G.

PY - 2021/7

Y1 - 2021/7

N2 - 2H solid-state NMR represents a reliable method for probing the dynamics of the molecules in confined geometries, including microporous and mesoporous materials such as zeolites or metal–organic frameworks (MOFs). Dynamic characteristics derived from analyses of 2H NMR line shape and spin relaxation for adsorbed deuterated molecules can be related with translational motions along the porous framework. This opens up the possibility to use 2H NMR for probing self-diffusion within porous materials. Herein we discuss the basic principles and approaches that can be used to derive the information on diffusion coefficients based on analysis of the dynamics of confined molecules by 2H NMR. We discuss the corresponding possibilities and limitations of 2H NMR compared to other experimental methods, such QENS and PFG NMR. Several examples for estimation of diffusion coefficients by 2H NMR for alkanes, olefins, alcohol, benzene, pyridine in zeolites and MOFs are provided.

AB - 2H solid-state NMR represents a reliable method for probing the dynamics of the molecules in confined geometries, including microporous and mesoporous materials such as zeolites or metal–organic frameworks (MOFs). Dynamic characteristics derived from analyses of 2H NMR line shape and spin relaxation for adsorbed deuterated molecules can be related with translational motions along the porous framework. This opens up the possibility to use 2H NMR for probing self-diffusion within porous materials. Herein we discuss the basic principles and approaches that can be used to derive the information on diffusion coefficients based on analysis of the dynamics of confined molecules by 2H NMR. We discuss the corresponding possibilities and limitations of 2H NMR compared to other experimental methods, such QENS and PFG NMR. Several examples for estimation of diffusion coefficients by 2H NMR for alkanes, olefins, alcohol, benzene, pyridine in zeolites and MOFs are provided.

KW - H solid-state NMR

KW - Dynamics in confined geometries

KW - Einstein equation for diffusivity

KW - Hydrocarbons

KW - Metal–organic frameworks (MOFs)

KW - Self-diffusion

KW - Zeolites

KW - MOLECULAR-DYNAMICS

KW - BENZENE

KW - H-2 solid-state NMR

KW - ETHENE MOLECULES

KW - MOBILITY

KW - NUCLEAR-MAGNETIC-RESONANCE

KW - PROPENE

KW - MIXTURES

KW - ZEOLITE ZSM-5

KW - MOTION

KW - Metal-organic frameworks (MOFs)

KW - ISOBUTANE

UR - http://www.scopus.com/inward/record.url?scp=85091612168&partnerID=8YFLogxK

U2 - 10.1007/s10450-020-00256-x

DO - 10.1007/s10450-020-00256-x

M3 - Article

AN - SCOPUS:85091612168

VL - 27

SP - 841

EP - 855

JO - Adsorption

JF - Adsorption

SN - 0929-5607

IS - 5

ER -

ID: 25680336