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Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material

Fast-field-cycling nuclear magnetic resonance (FFC-NMR) is a powerful technique for non-destructively probing the properties of fluids contained within the pores of porous materials. FFC-NMR measures the spin–lattice relaxation rate [Formula: see text] as a function of NMR frequency f over the kHz t...

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Autores principales: Faux, David, Kogon, Rémi, Bortolotti, Villiam, McDonald, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832834/
https://www.ncbi.nlm.nih.gov/pubmed/31614973
http://dx.doi.org/10.3390/molecules24203688
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author Faux, David
Kogon, Rémi
Bortolotti, Villiam
McDonald, Peter
author_facet Faux, David
Kogon, Rémi
Bortolotti, Villiam
McDonald, Peter
author_sort Faux, David
collection PubMed
description Fast-field-cycling nuclear magnetic resonance (FFC-NMR) is a powerful technique for non-destructively probing the properties of fluids contained within the pores of porous materials. FFC-NMR measures the spin–lattice relaxation rate [Formula: see text] as a function of NMR frequency f over the kHz to MHz range. The shape and magnitude of the [Formula: see text] dispersion curve is exquisitely sensitive to the relative motion of pairs of spins over time scales of picoseconds to microseconds. To extract information on the nano-scale dynamics of spins, it is necessary to identify a model that describes the relative motion of pairs of spins, to translate the model dynamics to a prediction of [Formula: see text] and then to fit to the experimental dispersion. The principles underpinning one such model, the 3 [Formula: see text] model, are described here. We present a new fitting package using the 3 [Formula: see text] model, called 3TM, that allows users to achieve excellent fits to experimental relaxation rates over the full frequency range to yield five material properties and much additional derived information. 3TM is demonstrated on historic data for mortar and plaster paste samples.
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spelling pubmed-68328342019-11-25 Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material Faux, David Kogon, Rémi Bortolotti, Villiam McDonald, Peter Molecules Article Fast-field-cycling nuclear magnetic resonance (FFC-NMR) is a powerful technique for non-destructively probing the properties of fluids contained within the pores of porous materials. FFC-NMR measures the spin–lattice relaxation rate [Formula: see text] as a function of NMR frequency f over the kHz to MHz range. The shape and magnitude of the [Formula: see text] dispersion curve is exquisitely sensitive to the relative motion of pairs of spins over time scales of picoseconds to microseconds. To extract information on the nano-scale dynamics of spins, it is necessary to identify a model that describes the relative motion of pairs of spins, to translate the model dynamics to a prediction of [Formula: see text] and then to fit to the experimental dispersion. The principles underpinning one such model, the 3 [Formula: see text] model, are described here. We present a new fitting package using the 3 [Formula: see text] model, called 3TM, that allows users to achieve excellent fits to experimental relaxation rates over the full frequency range to yield five material properties and much additional derived information. 3TM is demonstrated on historic data for mortar and plaster paste samples. MDPI 2019-10-14 /pmc/articles/PMC6832834/ /pubmed/31614973 http://dx.doi.org/10.3390/molecules24203688 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Faux, David
Kogon, Rémi
Bortolotti, Villiam
McDonald, Peter
Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material
title Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material
title_full Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material
title_fullStr Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material
title_full_unstemmed Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material
title_short Advances in the Interpretation of Frequency-Dependent Nuclear Magnetic Resonance Measurements from Porous Material
title_sort advances in the interpretation of frequency-dependent nuclear magnetic resonance measurements from porous material
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6832834/
https://www.ncbi.nlm.nih.gov/pubmed/31614973
http://dx.doi.org/10.3390/molecules24203688
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