Theory and simulation framework for the relaxation of nuclear spin order in porous media
Theory and simulation framework for the relaxation of nuclear spin order in porous media
The theory of nuclear spin relaxation in a liquid permeating a solid structure of irregular geometry is examined. The effects of restricted diffusion and the demagnetizing field generated by an inhomogeneous distribution of magnetic susceptibility in the system are explored. A framework comprising Brownian Dynamics, average Hamiltonian theory, and Liouville-space spin dynamics is proposed for simulating nuclear spin relaxation in 3D models of random structures obtained from CT scans of actual samples. Simulations results are compared with experimental data. An analytical solution valid within approximation is also reported.
6536-6546
Cartlidge, Topaz A. A.
f7afbdd8-5906-46d3-bd5f-454b706e8247
Robertson, Thomas B. R.
957b392c-1212-4721-bd6d-d1e00ed50a09
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
1 September 2022
Cartlidge, Topaz A. A.
f7afbdd8-5906-46d3-bd5f-454b706e8247
Robertson, Thomas B. R.
957b392c-1212-4721-bd6d-d1e00ed50a09
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b
Pileio, Giuseppe
13f78e66-0707-4438-b9c9-6dbd3eb7d4e8
Cartlidge, Topaz A. A., Robertson, Thomas B. R., Utz, Marcel and Pileio, Giuseppe
(2022)
Theory and simulation framework for the relaxation of nuclear spin order in porous media.
The Journal of Physical Chemistry B, 126 (34), .
(doi:10.1021/acs.jpcb.2c03575).
Abstract
The theory of nuclear spin relaxation in a liquid permeating a solid structure of irregular geometry is examined. The effects of restricted diffusion and the demagnetizing field generated by an inhomogeneous distribution of magnetic susceptibility in the system are explored. A framework comprising Brownian Dynamics, average Hamiltonian theory, and Liouville-space spin dynamics is proposed for simulating nuclear spin relaxation in 3D models of random structures obtained from CT scans of actual samples. Simulations results are compared with experimental data. An analytical solution valid within approximation is also reported.
Text
acs.jpcb.2c03575
- Version of Record
More information
e-pub ahead of print date: 17 August 2022
Published date: 1 September 2022
Additional Information:
Funding Information:
This work was funded by the Leverhulme Trust under Research Project Grant RPG-2019-298. Funding was also provided by the European Commission under the H2020 FETOPEN Project “TISuMR” (737034). This work was supported by the Engineering and Physical Research Council (Grant Number EP/P030491/1), and by the National Research Facility for Lab X-ray CT (NXCT) through EPSRC Grant EP/T02593X/1. The authors acknowledge the μ-VIS X-ray Imaging Centre at the University of Southampton for the provision of the X-ray tomographic imaging facilities. In particular, Dr Kathryn Rankin and Ronan Smith are thanked for technical support.
Publisher Copyright:
© 2022 American Chemical Society.
Identifiers
Local EPrints ID: 470187
URI: http://eprints.soton.ac.uk/id/eprint/470187
ISSN: 1520-5207
PURE UUID: a3ec6208-0e96-4875-9eee-8e8994742b6a
Catalogue record
Date deposited: 04 Oct 2022 16:45
Last modified: 17 Mar 2024 04:04
Export record
Altmetrics
Contributors
Author:
Topaz A. A. Cartlidge
Download statistics
Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.
View more statistics
