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Predictions of pulsed field gradient NMR echo-decays for molecules diffusing in various restrictive geometries. Simulations of diffusion propagators based on a finite element method

Hagslätt, H; Jönsson, Bengt LU ; Nyden, M and Söderman, Olle LU (2003) In Journal of Magnetic Resonance 161(2). p.138-147
Abstract
Pulsed field gradient NMR diffusometry is a promising tool for investigating structures of porous material through determinations of dynamic displacements of molecules in porous systems. A problem with this approach is the lack of closed analytical expressions for echo-decays in anything but idealized pore geometries. We present here an approach based on calculating the appropriate diffusion propagator by means of finite element calculations. The suggested method is quite general, and can be applied to arbitrary porous systems. The protocol for the calculations is outlined and we show results from some different cases: diffusion in confined geometries and in systems that are spatially inhomogeneous with respect to concentration.
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Simulation, Finite element method, Propagator, Diffusion, Pulsed field gradient NMR
in
Journal of Magnetic Resonance
volume
161
issue
2
pages
138 - 147
publisher
Elsevier
external identifiers
  • wos:000184409600003
  • scopus:0038150147
ISSN
1096-0856
DOI
language
English
LU publication?
yes
id
512f2ade-16f8-4783-858e-2b337bded3e4 (old id 122007)
date added to LUP
2007-06-29 10:39:44
date last changed
2018-05-29 09:51:38
@article{512f2ade-16f8-4783-858e-2b337bded3e4,
  abstract     = {Pulsed field gradient NMR diffusometry is a promising tool for investigating structures of porous material through determinations of dynamic displacements of molecules in porous systems. A problem with this approach is the lack of closed analytical expressions for echo-decays in anything but idealized pore geometries. We present here an approach based on calculating the appropriate diffusion propagator by means of finite element calculations. The suggested method is quite general, and can be applied to arbitrary porous systems. The protocol for the calculations is outlined and we show results from some different cases: diffusion in confined geometries and in systems that are spatially inhomogeneous with respect to concentration.},
  author       = {Hagslätt, H and Jönsson, Bengt and Nyden, M and Söderman, Olle},
  issn         = {1096-0856},
  keyword      = {Simulation,Finite element method,Propagator,Diffusion,Pulsed field gradient NMR},
  language     = {eng},
  number       = {2},
  pages        = {138--147},
  publisher    = {Elsevier},
  series       = {Journal of Magnetic Resonance},
  title        = {Predictions of pulsed field gradient NMR echo-decays for molecules diffusing in various restrictive geometries. Simulations of diffusion propagators based on a finite element method},
  url          = {http://dx.doi.org/},
  volume       = {161},
  year         = {2003},
}