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Heterogeneity and macroscopic anisotropy of porous media play an important role for dilution and reaction enhancement of conservative and reactive plumes. In this study, we perform numerical simulations to investigate steady-state flow and transport in three-dimensional heterogeneous porous media. We consider two macroscopic anisotropic inclusions resulting in helical flows with twisting streamlines in a three-dimensional flow-through domain. The inclusions are obtained by alternating two layers of angled slices of coarse and fine porous media with different hydraulic conductivity. We investigate flow and transport scenarios considering different geometry and relative position of the two anisotropic inclusions yielding helical flow fields with different extent of interaction. We use metrics of stretching and folding to characterize the flow field and entropy-based metrics for the analysis of the conservative and reactive transport problems. The outcomes show that the two helices result in different patterns of twisting streamlines, which cause distinct deformation of the plumes. However, mixing and reaction enhancement could not be directly related to the extent of the flow field deformation: Configurations with strong deformation can result in only moderate mixing enhancement, whereas configurations with limited deformation of the flow field can lead to significant mixing of the solute plume. Finally, we explore the impact of different degradation rates on reactive transport and the role of reaction kinetics on the entropy balance for a reactant undergoing transport and mixing-controlled degradation in the twisting flow fields. The results show that strong mixing enhancement due to helical flow increases the importance of the reaction kinetics that becomes the rate-limiting process for solute reactive transport.
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http://dx.doi.org/10.1103/PhysRevE.102.013110 | DOI Listing |
SnS (tin disulfide) is a promising anode active material for lithium-ion batteries (LIBs) due to its high theoretical capacity and low material cost. Conventional synthesis methods, such as solvothermal, hydrothermal, and solid-state, require long synthesis times, the use of solvents and surfactants, and several separation steps. However, the preparation of coated SnS composites using liquid media is even more complex, requiring suitable precursors, compatible solvents, and potentially several steps.
View Article and Find Full Text PDFLangmuir
September 2025
Key Laboratory of Green Chemical Media and Reactions (Ministry of Education), Collaborative Innovation Center of Henan Province for Green Manufacturing of Fine Chemicals, School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, P. R. China.
Recent years have witnessed growing research interest in proton-conducting metal-organic frameworks (MOFs) owing to the characteristics of highly ordered pores, oriented packing of crystals, and particularly designable structures. However, how to construct a suitable microenvironment in MOF pores to form optimal proton transport pathways remains challenging. In this study, four MOFs with similar porous diameters but different microenvironments have been screened to study how porous environments influence proton conduction for the first time.
View Article and Find Full Text PDFVertical cutoff wall is widely used as one of the in-situ remediation technologies for contaminated sites. In this paper, considering the unsaturated characteristics of porous media, a three-dimensional pollutant transport model of inner aquifer-vertical cutoff wall-outer aquifer is established. The main conclusions are as follows.
View Article and Find Full Text PDFFront Bioeng Biotechnol
August 2025
Institute of General Electrical Engineering, University of Rostock, Rostock, Germany.
Electrosensitive hydrogels are smart biomaterials that swell, shrink, deform, and bend when an external electric field is applied. These hydrogels have enormous potential for the controlled therapeutic delivery of biochemical substances to the affected area, thus promoting tissue regeneration. Computational modeling and simulation approaches have provided researchers with cost-effective predictive models that can be used to optimize and experimental protocols.
View Article and Find Full Text PDFJ Chromatogr Sci
August 2025
Metabolomics and Analytics Centre, Leiden Academic Centre for Drug Research, Leiden University, Einsteinweg 55 2333CC Leiden, The Netherlands.
Polymer monoliths are stationary-phase materials for liquid chromatography and solid-phase extraction. Their porous structure, tuneability and simple synthesis enable tailoring to specific analysis requirements in analytical chemistry. Typically, polymer monoliths are used to separate larger biomolecules.
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