The slow progress of the external sulfate attack and the large size and criticality of typical
structures affected by this phenomenon establish numerical modeling as a key tool to …

This work comprehensively reviews the equations governing multicomponent flow and
reactive transport in porous media on the pore-scale, mesoscale and continuum scale. For …

A general description of the mathematical and numerical formulations used in modern
numerical reactive transport codes relevant for subsurface environmental simulations is …

Quantifying CO2 transport and average effective reaction rates in the subsurface is essential
to assess the risks associated with underground carbon capture and storage. We use X-ray …

This paper presents the development, verification and application of an efficient interface,
denoted as iCP, which couples two standalone simulation programs: the general purpose …

We investigate the impact of initial pore structure and velocity field heterogeneity on the
dynamics of fluid/solid reaction at high Péclet numbers (fast flow) and low Damköhler …

We present a particle‐based method to simulate carbonate dissolution at the pore scale
directly on the voxels of three‐dimensional micro‐CT images. The flow field is computed on …

Reactive flow is imperative in a wide range of chemical sciences, hydrogeological and
environmental applications. A parallel numerical framework is presented for modelling the …

We study the impact of brine acidity and initial pore structure on the dynamics of fluid/solid
reaction at high Péclet numbers and low Damköhler numbers. A laboratory μ-CT scanner …

We present an overview of novel numerical methods for chemical equilibrium and kinetic
calculations for complex non-ideal multiphase systems. The methods we present for …