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Current Trends in Modelling of Flow and Transport in Fine Porous Materials

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Porous Materials".

Deadline for manuscript submissions: closed (31 October 2021) | Viewed by 7636

Special Issue Editor

Dr. Janez Perko

E-Mail Website
Guest Editor
Belgian Nuclear Research Centre SCK CEN, Mol, Belgium
Interests: cementitious materials; material durability research; reactive transport modelling; material evolution; numerical methods

Special Issue Information

Dear Colleagues,

Fine porous materials are used in many industrial applications. In the last few decades, there was a huge improvement in experimental techniques to capture the properties of porous materials at yet smaller scales. A better description of porous media also requires a new modelling paradigm. The models are becoming a tool to understand the process rather than a reproduction of an experiment, since the validation of the models on lower scales is very difficult. The challenge is not only in high resolution of input data and consequent high computational costs, but requires in many cases the application of new physical approaches, such as electro-kinetic effects, electrical double-layer, or self-diffusion. Another challenge is how to apply understanding of the material for industrial use or in the development of new materials.

We are inviting you to publish new original research related but not limited to the following specific topics:

  • Topics related to diffusion and fluid flow in fine porous materials (e.g., cement, clay, ceramics, etc.)
  • Development of new constitutive laws based on new descriptors
  • Use of models to design new materials
  • Flow and transport through evolving media
  • Approaches of upscaling and numerical techniques of coupled flow and diffusion (e.g. MsFEM, asymptotic homogenization, etc.)
  • Application of nanoscale/pore-scale models (e.g., lattice-Boltzmann, Pore network model, Molecular dynamics, etc.) to fine porous materials

Novel/advanced approaches to validate the transport models (experiments and application).

Dr. Janez Perko
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Fine porous materials
  • Numerical modelling
  • Diffusion
  • Water flow
  • Physical properties
  • Constitutive laws
  • Upscaling
  • Model validation

Published Papers (3 papers)

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Research

20 pages, 2951 KiB  
Article
Evolution of Hydraulic Conductivity of Unsaturated Compacted Na-Bentonite under Confined Condition—Including the Microstructure Effects
by Tian Chen, Mao Du and Qiangling Yao
Materials 2022, 15(1), 219; https://doi.org/10.3390/ma15010219 - 28 Dec 2021
Cited by 7 | Viewed by 1603
Abstract
Compacted bentonite is envisaged as engineering buffer/backfill material in geological disposal for high-level radioactive waste. In particular, Na-bentonite is characterised by lower hydraulic conductivity and higher swelling competence and cation exchange capacity, compared with other clays. A solid understanding of the hydraulic behaviour [...] Read more.
Compacted bentonite is envisaged as engineering buffer/backfill material in geological disposal for high-level radioactive waste. In particular, Na-bentonite is characterised by lower hydraulic conductivity and higher swelling competence and cation exchange capacity, compared with other clays. A solid understanding of the hydraulic behaviour of compacted bentonite remains challenging because of the microstructure expansion of the pore system over the confined wetting path. This work proposed a novel theoretical method of pore system evolution of compacted bentonite based on its stacked microstructure, including the dynamic transfer from micro to macro porosity. Furthermore, the Kozeny–Carman equation was revised to evaluate the saturated hydraulic conductivity of compacted bentonite, taking into account microstructure effects on key hydraulic parameters such as porosity, specific surface area and tortuosity. The results show that the prediction of the revised Kozeny–Carman model falls within the acceptable range of experimental saturated hydraulic conductivity. A new constitutive relationship of relative hydraulic conductivity was also developed by considering both the pore network evolution and suction. The proposed constitutive relationship well reveals that unsaturated hydraulic conductivity undergoes a decrease controlled by microstructure evolution before an increase dominated by dropping gradient of suction during the wetting path, leading to a U-shaped relationship. The predictive outcomes of the new constitutive relationship show an excellent match with laboratory observation of unsaturated hydraulic conductivity for GMZ and MX80 bentonite over the entire wetting path, while the traditional approach overestimates the hydraulic conductivity without consideration of the microstructure effect. Full article
(This article belongs to the Special Issue Current Trends in Modelling of Flow and Transport in Fine Porous Materials)
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23 pages, 11029 KiB  
Article
A High-Similarity Modeling Method for Low-Porosity Porous Material and Its Application in Bearing Cage Self-Lubrication Simulation
by Jiannan Sun, Ke Yan, Yongsheng Zhu and Jun Hong
Materials 2021, 14(18), 5449; https://doi.org/10.3390/ma14185449 - 21 Sep 2021
Cited by 3 | Viewed by 3524
Abstract
The porous oil-containing cage achieves the storage, spillage, and suction of lubricating oil by its micro-pore structure, thus ensuring the self-lubricating performance of the bearing. Carrying out fast and accurate modeling of the cage microscopic pore structure is the key to the analysis [...] Read more.
The porous oil-containing cage achieves the storage, spillage, and suction of lubricating oil by its micro-pore structure, thus ensuring the self-lubricating performance of the bearing. Carrying out fast and accurate modeling of the cage microscopic pore structure is the key to the analysis of the self-lubricating mechanism of bearings. In response to the issues where current modeling methods of porous materials have a low similarity of pore distribution, morphology, structure, and size characteristics, and the transition of pore surfaces is sharp, this paper proposed a modeling method of a highly similar micro-pore structure based on the idea of median filtering, the quartet structure generation set (QSGS), and the slice method. By extracting and analyzing the pore characteristics of the porous model and comparing them with the experimental results of CT scanning, the advantages of the modeling method in terms of morphology and pore connectivity were verified. Finally, by carrying out simulation analysis of the centrifugal force of oil splashing and capillary oil absorption on the constructed model by combining the parameters of porous structures such as porosity and tortuosity, the advantages of the modeling method in the construction of the porous model and multi-physical field analysis were further verified. Full article
(This article belongs to the Special Issue Current Trends in Modelling of Flow and Transport in Fine Porous Materials)
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30 pages, 9638 KiB  
Article
A Parallel Coupled Lattice Boltzmann-Volume of Fluid Framework for Modeling Porous Media Evolution
by Hussein Alihussein, Martin Geier and Manfred Krafczyk
Materials 2021, 14(10), 2510; https://doi.org/10.3390/ma14102510 - 12 May 2021
Cited by 3 | Viewed by 1882
Abstract
In this paper, we present a framework for the modeling and simulation of a subset of physical/chemical processes occurring on different spatial and temporal scales in porous materials. In order to improve our understanding of such processes on multiple spatio-temporal scales, small-scale simulations [...] Read more.
In this paper, we present a framework for the modeling and simulation of a subset of physical/chemical processes occurring on different spatial and temporal scales in porous materials. In order to improve our understanding of such processes on multiple spatio-temporal scales, small-scale simulations of transport and reaction are of vital importance. Due to the geometric complexity of the pore space and the need to consider a representative elementary volume, such simulations require substantial numerical resolutions, leading to potentially huge computation times. An efficient parallelization of such numerical methods is thus vital to obtain results in acceptable wall-clock time. The goal of this paper was to improve available approaches based on lattice Boltzmann methods (LBMs) to reliably and accurately predict the combined effects of mass transport and reaction in porous media. To this end, we relied on the factorized central moment LBM as a second-order accurate approach for modeling transport. In order to include morphological changes due to the dissolution of the solid phase, the volume of fluid method with the piece-wise linear interface construction algorithm was employed. These developments are being integrated into the LBM research code VirtualFluids. After the validation of the analytic test cases, we present an application of diffusion-controlled dissolution for a pore space obtained from computer tomography (CT) scans. Full article
(This article belongs to the Special Issue Current Trends in Modelling of Flow and Transport in Fine Porous Materials)
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