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 B...

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Veröffentlicht in:The journal of physical chemistry. B 2022-09, Vol.126 (34), p.6536-6546
Hauptverfasser: Cartlidge, Topaz A. A., Robertson, Thomas B. R., Utz, Marcel, Pileio, Giuseppe
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B: Soft Matter, Fluid Interfaces, Colloids, Polymers, and Glassy Materials
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container_end_page 6546
container_issue 34
container_start_page 6536
container_title The journal of physical chemistry. B
container_volume 126
creator Cartlidge, Topaz A. A.
Robertson, Thomas B. R.
Utz, Marcel
Pileio, Giuseppe
description 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.
doi_str_mv 10.1021/acs.jpcb.2c03575
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title Theory and Simulation Framework for the Relaxation of Nuclear Spin Order in Porous Media
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