We develop process-based descriptions of reactive transport in porous and fractured media. Our work links mineral-fluid reactions, pore-structure evolution, and transport-property changes across scales, from molecular mechanisms to continuum-scale simulations.
Our methods combine experiments, imaging, and modelling across scales.
At the atomistic scale, we use simulations to determine thermodynamic properties, kinetic parameters, mineral reactivity, ion incorporation, and mineral-fluid interface processes in secondary phases.
At the pore scale, we develop models that resolve flow, diffusion, reaction, mineral dissolution and precipitation, gas formation, and evolving pore geometry. We use these models to derive constitutive relationships for permeability, diffusivity, reactive surface area, and accessible porosity.
At the continuum scale, we implement upscaled mechanisms into reactive transport models for reservoir- and repository-scale simulations.
Experimentally, we work across scales, from batch experiments to dynamic 2D microfluidic systems and 3D Computer Tomography imaging-based setups. We combine in situ observations with post-experimental characterization using electron microscopy, TEM, HAADF-STEM, FIB-SEM, AFM, Raman spectroscopy, X-ray CT, and related mineralogical and geochemical analyses.
