Prediction and Evaluation of Time-Dependent Effective Self-diffusivity ofWater and Other Effective Transport Properties Associated with Reconstructed Porous Solids

0448882 - ÚFCH JH 2016 RIV US eng J - Článek v odborném periodiku
Veselý, M. - Bultreys, T. - Peksa, M. - Lang, J. - Cnudde, V. - van Hoorebeke, L. - Kočiřík, Milan - Hejtmánek, Vladimír - Šolcová, Olga - Soukup, Karel - Gerke, K. - Stallmach, F. - Čapek, P.
Prediction and Evaluation of Time-Dependent Effective Self-diffusivity ofWater and Other Effective Transport Properties Associated with Reconstructed Porous Solids.
Transport in Porous Media. Roč. 110, č. 1 (2015), s. 81-111. ISSN 0169-3913. E-ISSN 1573-1634
Grant CEP: GA ČR(CZ) GAP204/11/1206
Institucionální podpora: RVO:61388955 ; RVO:67985858
Klíčová slova: Isobaric counter-current diffusion * Knudsen flow * Pulsed field gradient NMR
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.653, rok: 2015

We reconstructed pore structures of three porous solids that differ from each other in morphology and topology of pore space. To achieve this, we used a stochastic method based on simulated annealing and X-ray computed microtomography. Simulated annealing was constrained by the following microstructural descriptors sampled along the principal and diagonal directions: the two-point probability function for the void phase and the lineal-path functions for both void and solid phases. The stochastic method also assumed the isotropic pore structures in accordance with a recent paper (Čapek et al. in Transp Porous Media 88(1): 87–106 (2011)). With the exception of the solid with the widest pores, we made tomographic volume images in high and low resolution, which enabled us to study the effect of resolution on microstructural descriptors and effective transport properties. A comparison of the two-point probability function and the lineal-path function sampled in the principal directions revealed that the pore structures derived from the tomographic volume images were slightly anisotropic, in opposition to the assumption of the stochastic method. Besides the anisotropy, other microstructural descriptors including the pore-size function and the total fraction of percolating cells indicated that the morphological and topological characteristics of the pore structures depended on the reconstruction method and its parameters. Particularly, the pore structures reproduced using the stochastic method contained wider pores than those obtained using X-ray tomography. Deviations between the pore structures derived from low- and high-resolution tomographic volume images were also observed and imputed to partial volume artefacts. Then, viscous flow of incompressible liquid, ordinary diffusion, Knudsen flow and self-diffusion of water in the reconstructed pore spaces were simulated.
Trvalý link: http://hdl.handle.net/11104/0250479