Matching of fluid flow observations in geological material (GeoPET, mm3 resolution) with lattice Boltzmann simulations in μm resolved structures

Scaling is a fundamental problem in groundwater hydrology. A typical challenge is the verification that hydrodynamic parameters obtained in laboratory experiments well represent a situation on the field scale. Here were propose that for reactive transport modeling, the prediction of the large scale fluid dynamics and concentration distributions should be based on the characteristics of hydromechanic and geochemical parameter sets on the millimeter and micrometer scale. While it is common sense that chemical reactions take place on the atomic scale, here we show with tomograhic process observation and modeling that also hydrodynamic processes are considerably influenced even by sub-µm scale characteristics of the geomaterial and thus determine the fate and dynamics of the system components in the fluid phase.

We applied the spatially highly resolving computer tomography (μXCT) on rock cores for determining the open pore structures. Based on these µm scaled structural information the lattice Boltzmann simulations were conducted. Column experiments were performed on the same samples while applying the process visualization method GeoPET that allows for the non-invasive, quantitative monitoring of e.g. dissolved positron-emitting radio tracers ([18F]KF, [124I]KI) added to the eluent. Visualizing and quantifying transport processes in geological material by means of GeoPET provides a high volume resolution of 1.5 μl (1.3 mm) and extreme high sensitivity for tracer concentrations (10−15 to 10−12 moles/ml). The matching of measured time resolved fluid flow patterns and simulated small scale fluid dynamics is conducted by means of geostatistic methods (variography). It allows validating the structurally related hydromechanical parameters like flow velocities derived from the simulation and offers insights to the linking between ongoing processes on the micrometer scale and its impact on the centimeter scale. The applied scale independent geostatistical tools provide scale independent parameters, like the correlation lengths. Such parameters are a suggested fundamentally important base for valid upscaling to the field scale.

We provide results from rock cores with both, relatively simple structured pathways as well as complex ones. In both types only a small part of the available pathway is passed through by the mobile fluid implying that only fractions of the inner surface were available for chemical reactions. Such findings should fertilize the concepts of reactive transport models aiming at larger scales.

Therefore we conclude: Microscale information is essential for improving reactive transport models.