Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Dynamics in nanoporous materials probed by 2H solid state NMR : estimation of self-diffusion coefficients. / Kolokolov, Daniil I.; Freude, Dieter; Stepanov, Alexander G.
в: Adsorption, Том 27, № 5, 07.2021, стр. 841-855.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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