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Towards digital twin of an in-situ experiment: a physics-enhanced machine-learning framework for inverse modelling of mass transport processes
Peng et al., 2026
As a prove of concept for experimental geochemistry, an advanced 3D numerical framework, here and after called Digital Twin (DT), of a diffusion experiment conducted at a synchrotron beamline, has been implemented using....
Compositional and structural controls on Fe(III) trapping in LDH phases
Ban et al., 2026
Understanding Fe incorporation in layered double hydroxide (LDH) phases is important for revealing the steel/cement interface interaction in low carbon cement. In this study, synchrotron-based characterization is....
Pore-scale reactive transport modeling of minerals dissolution and precipitation.
Mahrous et al., 2026
With the aim of identifying the strengths and limitations of current reactive transport models in simulating dissolution-precipitation reactions, this work validates experimentally a newly developed pore-scale model. The model is developed....
Bridging in-situ chemical imaging and pore-scale reactive transport modelling: mechanistic insight into CaCO3 polymorph dynamics
Peng et al., 2026
Understanding the growth and dissolution behavior of calcium carbonate (CaCO3) polymorphs is fundamental for studying biomineralization, environmental geochemistry, and reactive transport processes in porous systems. Among numerous carbonate phases, amorphous calcium carbonate (ACC) often plays....
Laboratory diffusion experiments with HTO, D2O, H218O, 36Cl−, Br−, I−, 79SeO42−, 22Na+, 85Sr2+, 133Ba2+ and 226Ra2+ in Opalinus Clay parallel to the bedding plane: experimental results and modelling
Van Loon et al., 2026
The diffusion of a suite of trace solutes (radiotracers and stable isotope species) through Opalinus Clay was studied on rock material from two different boreholes (BDR-2, BMA-A1) of the Mont Terri Underground Research Laboratory in Switzerland. Most tests were carried out on samples from borehole BDR-2, where the DR long-term diffusion-retention experiment was....
Mechanistic Thermodynamic Model for Zn2+ Uptake on Saponite
Stotskyi et al., 2026
Zn uptake by the synthetic trioctahedral clay mineral saponite was investigated in batch sorption experiments over a wide range of conditions....
Examining the pH dependence of Fe behavior in hydrotalcite-group structures
Ban et al., 2026
Hydrotalcite-group layered double hydroxide (LDH) phases are important in many technical and geological contexts, and in applications ranging from environmental processes to catalysts to cements. This study systematically investigates the roles of Fe in LDH structures across varying....
Driving forces of mineral recrystallization in aqueous solutions derived from...
Curti et al., 2026
Recrystallization in aqueous solutions is a ubiquitous process susceptible to control the entrapment and release of toxic contaminants in the subsurface. However, unraveling the underlying mechanisms and driving forces has proven to be elusive, as recrystallization frequently follows different kinetic pathways even for the same mineral, depending on its initial state and pre-treatment. To obtain a better insight, a large body of experimental data from isotope tracer experiments carried out....
Swelling of Na-montmorillonite in the presence....
Owusu et al., 2026
Various dissolved gases, such as CO, H, and CH, may be present in the near-field geological repository due to metal corrosion or the degradation of organic waste. However, the influence of dissolved gases on the swelling behavior of bentonites, commonly used as backfill material, is still poorly understood. In this study, classical molecular dynamics simulations are conducted to....