Journal
MOLECULES
Volume 26, Issue 8, Pages -Publisher
MDPI
DOI: 10.3390/molecules26082133
Keywords
low field NMR; Inverse Laplace Transform; L-Curve regularization; confined liquid; relaxometry; drying process
Funding
- Polish National Center for Research [STRATEGMED2/265761/10/NCBR/2015]
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In this study, relaxometric NMR investigations were conducted on MCM-41 and SBA-15 model systems in various saturation states using the Inverse Laplace Transform (ILT) and regularization technique. The research aimed to understand the dynamics of water molecules in mesoporous silica materials in different geometries through relaxation spectra analysis.
Mesoporous silica materials are the subjects for relaxometric NMR studies in which we obtain information on the properties of molecules in confined geometries. The signal analysis in such investigations is generally carried out with the help of the Inverse Laplace Transform (ILT), which is accompanied by a regularization procedure. The appropriate selection of the regularization method may positively affect the resolution of the spectrum and the essence of the final conclusions. In this work, we examined the MCM-41 and SBA-15 model systems in various saturation states, using L-Curve regularization for relaxation spectra based on our own version of the fast fast ILT implementation. In a single relaxometric spectrum, the water contributions from the internal volume in the pores and between the silica particles were identified, which allowed us to trace the dynamics of the corresponding drying trends during the removal of water from the sample as a function of total water saturation.
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