HS8.1.1
Modern challenges and approaches to modeling subsurface flow and transport across multiple scales

HS8.1.1

EDI
Modern challenges and approaches to modeling subsurface flow and transport across multiple scales
Convener: Monica Riva | Co-conveners: Daniel Fernandez-Garcia, Alberto Guadagnini, Xavier Sanchez-Vila
vPICO presentations
| Tue, 27 Apr, 11:00–12:30 (CEST)

vPICO presentations: Tue, 27 Apr

Chairpersons: Monica Riva, Xavier Sanchez-Vila, Alberto Guadagnini
11:00–11:05
11:05–11:07
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EGU21-4631
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ECS
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Highlight
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Dustin Knabe, He Wang, Christian Griebler, and Irina Engelhardt

Bank filtration is a sustainable source for drinking water production in urbanized regions but is increasingly at risk by contamination with pathogenic bacteria and viruses from surface water receiving wastewater discharge. While recent advances have improved our process understanding for pathogen transport on laboratory scale, simulations and predictions on field scale under transient conditions, as in bank filtration, are still highly uncertain. To improve our understanding on field scale, we performed a sampling survey over 16 months at an observation well transect in a heterogeneous sand-gravel aquifer of an active bank filtration waterworks at the river Rhine in Germany. Water samples were collected from the river, the production well, and 4 multi-level observation wells. Samples were analysed for main anions/cations, and hygienic indicators (E. coli and coliform bacteria via plate counts, coliphages via plaque assay, and adenoviruses via ddPCR). A two-dimensional reactive transport model was set up using PFLOTRAN to simulate the transport of heat and dissolved species, aerobic respiration, denitrification, and colloid-based transport of bacteria and viruses. For the latter, adsorption to and desorption from the sediment, straining, blocking, and inactivation are considered. Model parameters were estimated from prior knowledge of the site or calibrated with the obtained data using particle swarm optimization.

Field observations show a strong seasonal variation of river hydraulics with up to 8 m difference in water level, a prolonged low in the summer/fall and short-termed river level increases in the winter. Aerobic respiration was strongly controlled by the temperature variation (6-24°C in groundwater), leading to an increase in oxygen consumption and limited denitrification during the warm summer/fall. Bacteria and virus concentrations in the groundwater were elevated following a flood in the first winter (up to 500 MPN/100mL coliforms, 2 PFU/100mL coliphages, 1000 copies/100mL adenovirus). Measurable concentrations were still observed during the summer (e.g., up to 10 MPN/100mL coliforms, 0.7 PFU/100mL coliphages, 500 copies/mL adenovirus), but concentrations were below the detection limit for most of the second winter, where no significant flood occurred. In the well closest to the river (40 m distance), the concentration reduction compared to the river varied over time between 1 to ≥4 log-units for coliforms, 1.5 to ≥3 log-units for coliphages, and 0.5 to ≥3 log-units for adenoviruses. The model results suggest the main driving processes for the variation in the bacteria and virus concentrations are (i) the changing groundwater velocity (driven by river level variations and pumping rate), (ii) occurrence of low dissolved oxygen concentrations which lower inactivation, and (iii) transient colmation layer properties (permeability and effective grain size). The colmation layer is affected by reworking of riverbed sediments during floods, bio-clogging during summer, and physical clogging due to constant forced infiltration caused by the bank filtration plant. This is supported by the observation of high bacteria concentrations in the aquifer for a short duration after pumps were reactivated following a 40-day maintenance period. Overall, bacteria and virus attenuation during bank filtration was high, only a strong flood resulted in significantly higher contaminant concentrations in the aquifer.

How to cite: Knabe, D., Wang, H., Griebler, C., and Engelhardt, I.: Impact of seasonal variations and transient colmation layer properties on bacteria and virus transport in bank filtration, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-4631, https://doi.org/10.5194/egusphere-egu21-4631, 2021.

11:07–11:09
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EGU21-875
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ECS
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Tomas Aquino and Tanguy Le Borgne

The spatial distribution of a solute undergoing advection and diffusion is impacted by the velocity variability sampled by tracer particles. In spatially structured velocity fields, such as porous medium flows, Lagrangian velocities along streamlines are often characterized by a well-defined correlation length and can thus be described by spatial-Markov processes. Diffusion, on the other hand, is generally modeled as a temporal process, making it challenging to capture advective and diffusive dynamics in a single framework. In order to address this limitation, we have developed a description of transport based on a spatial-Markov velocity process along Lagrangian particle trajectories, incorporating the effect of diffusion as a local averaging process in velocity space. The impact of flow structure on this diffusive averaging is quantified through an effective shear rate. The latter is fully determined by the point statistics of velocity magnitudes together with characteristic longitudinal and transverse lengthscales associated with the flow field. For infinite longitudinal correlation length, our framework recovers Taylor dispersion, and in the absence of diffusion it reduces to a standard spatial-Markov velocity model. This novel framework allows us to derive dynamical equations governing the evolution of particle position and velocity, from which we obtain scaling laws for the dependence of longitudinal dispersion on Péclet number. Our results provide new insights into the role of shear and diffusion on dispersion processes in heterogeneous media.

In this presentation, I propose to discuss: (i) Spatial-Markov models and the modeling of diffusion as a spatial rather than temporal process; (ii) The concept of the effective shear rate and its role in the diffusive dynamics of tracer particle velocities; (iii) The role of transverse diffusion and its interplay with velocity heterogeneity on longitudinal solute dispersion.

How to cite: Aquino, T. and Le Borgne, T.: The diffusing-velocity random walk: Capturing the interplay of diffusion and heterogeneous advection within a spatial-Markov framework, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-875, https://doi.org/10.5194/egusphere-egu21-875, 2021.

11:09–11:11
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EGU21-1941
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Nicolae Suciu, Davide Illiano, Alexander Prechtel, and Florin Radu

We present new random walk methods to solve flow and transport problems in saturated/unsaturated porous media, including coupled flow and transport processes in soils, heterogeneous systems modeled through random hydraulic conductivity and recharge fields, processes at the field and regional scales. The numerical schemes are based on global random walk algorithms (GRW) which approximate the solution by moving large numbers of computational particles on regular lattices according to specific random walk rules. To cope with the nonlinearity and the degeneracy of the Richards equation and of the coupled system, we implemented the GRW algorithms by employing linearization techniques similar to the L-scheme developed in finite element/volume approaches. The resulting GRW L-schemes converge with the number of iterations and provide numerical solutions that are first-order accurate in time and second-order in space. A remarkable property of the flow and transport GRW solutions is that they are practically free of numerical diffusion. The GRW solvers are validated by comparisons with mixed finite element and finite volume solvers in one- and two-dimensional benchmark problems. They include Richards' equation fully coupled with the advection-diffusion-reaction equation and capture the transition from unsaturated to saturated flow regimes.  For completeness, we also consider decoupled flow and transport model problems for saturated aquifers.

How to cite: Suciu, N., Illiano, D., Prechtel, A., and Radu, F.: Global random walk solvers for fully coupled flow and transport in saturated/unsaturated porous media, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-1941, https://doi.org/10.5194/egusphere-egu21-1941, 2021.

11:11–11:13
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EGU21-10118
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ECS
Laura Ceresa, Alberto Guadagnini, Monica Riva, and Giovanni Porta

Subsurface flow and transport settings are typically characterized by spatial variability of the underlying hydro-geological attributes (e.g., permeability and porosity) and a high degree of uncertainty associated with data and model parameter estimates. In this context, we rely on a stochastic approach and analyse conservative solute transport taking place within three-dimensional, sub-Gaussian domains with isotropic, exponential correlation structure of the associated log-conductivity fields. The flow is uniform in the mean and driven by an imposed average head gradient. We present an analytical solution based on a small perturbation approach that allows assessing the temporal evolution of longitudinal and transverse macrodispersion. Similar to what is observed for Gaussian log-conductivity domains, these are seen to attain a (Fickian) asymptotic regime after the solute plume has travelled a sufficient number of conductivity correlation scales. We also derive closed-form analytical expressions for other statistical moments of interest (e.g., seepage velocity and particle displacement covariance) and benchmark these solutions against numerical Monte Carlo simulations for various degrees of domain heterogeneity. This enables us to assess the extent at which a small perturbation approximation can embed the key features of macrodispersion within three-dimensional sub-Gaussian conductivity fields of increasing heterogeneity levels. Our results suggest that, similar to what already observed for Gaussian fields, the analytical formulation fully captures the trend of longitudinal macrodispersion for values of log-conductivity variance smaller than the unity, the goodness of the results becoming worse as the variance increases. Our formulation also captures directional displacement and seepage velocity covariances, even though the degree of agreement with their numerical Monte Carlo counterparts rapidly deteriorates with increasing conductivity variance. Particularly refined numerical grids are required to capture the nugget effect exhibited by the analytical longitudinal velocity covariance, thus posing a challenge to assess the system behaviour at short distances.

How to cite: Ceresa, L., Guadagnini, A., Riva, M., and Porta, G.: Analytical expressions for macrodispersion in three-dimensional Sub-Gaussian hydraulic conductivity fields, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-10118, https://doi.org/10.5194/egusphere-egu21-10118, 2021.

11:13–11:15
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EGU21-7289
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ECS
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Thomas Le Reun and Duncan Hewitt

In hydrothermal systems, the circulation of water through the porous matrix is strongly influenced by the joint effects of heat and salinity. Because of phase separation, layers of different salinities and temperature are thought to form, but their stability or their typical lifetime remains unclear. Moreover, the dynamics of heat transport across such a layered system is considerably enriched by double diffusive effects due to the slower diffusion of salinity relative to heat. Here, we study numerically the time evolution of an ideal two-layer configuration where a heavy layer of warm and salty water is overlain by a light layer of cold and fresh water. Thermal convection quickly develops in each layer and maintains a thin diffusive interface between the layers. There is long-standing controversy on the temporal evolution of such a system. Although Griffiths (1981) found experimentally that the sharp interface seemed to persist indefinitely, Schoofs & Hansen (2000) reported via numerical simulations systematic depletion and vanishing of the layers. We resolve this apparently inconsistency. In our simulations, we find systematic depletion of the two-layer initial condition in all cases. However, the timescale over which it occurs depends strongly on the ratio between salinity and temperature contributions to density. When salinity is weakly stabilising, thermal convection and layers are maintained over (very long) diffusive timescales. When salt is strongly stabilising, however, convection becomes quiescent over much shorter times and the sharp interface between layers is quickly diffused away. We determine scalings on the lifetime of the layers in both regimes as a function of the governing parameters.

How to cite: Le Reun, T. and Hewitt, D.: Double-diffusive depletion of layers in hydrothermal systems, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-7289, https://doi.org/10.5194/egusphere-egu21-7289, 2021.

11:15–11:17
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EGU21-7299
Sanjukta Das and Eldho t i

Understanding the complex groundwater flow behaviour is of utmost importance for a better and quicker management of groundwater. A thorough study of flow behaviour can be attained by modeling. Numerical simulation models have been proven to be an effective means of modeling of groundwater. The state-of-art meshfree simulation models, demonstrated in the various studies, have a clear advantage of allaying the meshing and remeshing complications. Meshless methods can be grouped into weak, strong and weak strong form methods. The strong form methods are truly meshfree, straightforward and efficacious, but they require a special treatment for the derivative boundaries. This imposes a limitation on the strong form methods in the application of groundwater studies, as the aquifers predominantly involve natural boundary conditions. The weak form methods, though effective in handling the derivative boundary conditions, require more computational time. The meshless weak strong (MWS) form combines the strengths of the strong and weak forms to obtain efficient and robust solutions with a lesser computational cost. This study aims at investigating the unexplored area of the applicability of the theoretically potent MWS method to the groundwater flow problems. In this context, the MWS model is developed by integrating the Meshless Local Petrov Galerkin (MLPG) method and the Radial Point Collocation Method (RPCM). The developed MWS model is applied to the flow studies in a hypothetical confined aquifer and is observed to result in fruitful solutions. Highlighting the advantages of the MWS method, satisfactory results could be obtained in atleast 30% lesser computational time compared to the weak form model. Thus, MWS method can be considered as an efficient tool to simulate large scale groundwater flow problems.

How to cite: Das, S. and t i, E.: Groundwater Flow Simulation in a Confined Aquifer Using Meshless Weak Strong Form, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-7299, https://doi.org/10.5194/egusphere-egu21-7299, 2021.

11:17–11:19
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EGU21-3703
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ECS
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Aatish Anshuman and t i Eldho

Groundwater is the largest source for freshwater which plays an important role in the hydrological cycle. The pollution of groundwater is on the rise due to various natural and anthropogenic sources such as landfills, agricultural lands, and underground waste storage facilities etc. These pollutants can be subjected to reactions depending on the contaminant type and the subsurface environment along with advection and dispersion processes.  As groundwater is used in various human activities such as drinking, agriculture and industrial activities, it is essential to track the contaminants in groundwater for assessing possible environmental impacts. The complex phenomena of flow and contaminant transport are represented by partial differential equations (PDEs) which are solved numerically throughout the problem domain. Although Finite Difference method (FDM) and Finite Element Method (FEM) based models are conventionally used for these simulations, these methods suffer from certain instabilities due to the presence of mesh/grid, for example, numerical dispersion and artificial oscillation for advection and reaction dominant problems. Moreover, these methods are not suitable for adaptive analysis which requires meshing and re-meshing in each simulation making the problem highly computationally expensive. Here, we present a strong form meshfree method named Radial Point Collocation Method (RPCM) for modelling flow and transport in groundwater. In contrast to mesh-based methods, the problem domain is discretised using only nodes in the proposed method. Moreover, unlike the mesh-based methods, it produces stable solutions for advection and reaction dominant problems without using special techniques such as up-winding, adaptive re-meshing or, operator splitting. The performance of the model is tested against analytical solutions, FDM and FEM based models for different reactive transport problems in groundwater involving adsorption, decay, multi-species decay network and biodegradation.

How to cite: Anshuman, A. and Eldho, T. I.: Meshfree models for simulation of reactive transport in groundwater systems, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-3703, https://doi.org/10.5194/egusphere-egu21-3703, 2021.

11:19–11:21
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EGU21-7820
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ECS
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Alessandro Lenci, Yves Méheust, Mario Putti, and Vittorio Di Federico

The study of the flow in a single fracture is the starting point to understand the complex hydraulic behaviour of geological formations and fractured reservoirs, whose comprehension is of interest in many natural phenomena (e.g., magma intrusion) and the optimization of numerous industrial activities in fractured reservoirs (e.g., Enhanced Oil Recovery, drilling engineering, geothermal energy exploitation). Despite the considerable technical prospects of this topic, the associated mathematical complexity and computational burden have so far mostly discouraged investigations of the combined effects of fracture heterogeneity and of the complex rheology of relevant fluids. Indeed, magmas, foams, muds, and suspensions of natural colloids such as clay particles in water are complex fluids and often present in subsurface applications and natural processes. These fluids are characterized by a shear-thinning behavior, which can be well described by the Ellis model, a continuous three-parameter model that behaves as a power-law fluid at high shear rates and as a Newtonian fluid at low shear rates. The Ellis model parameters are: n the power law exponent, μ0 the low shear rates viscosity, and τ1/2 the shear rate such that μapp(τ1/2)=μ0/2. We use this rheological description in combination with the lubrication theory, which is a depth-averaged formalism permitting us to reduce the full 3-D problem to a 2-D plane formulation. It has been applied to study Newtonian flow in a single fracture for decades and, as far as the aperture gradient remains small (∇d«1), the approximation error introduced by this model is limited. We present here a lubrication-based numerical code aiming at simulating the flow of an Ellis fluid in rough-walled fractures. The code is composed of two modules: a 2D FFT-based fracture aperture field generator and a lubrication-based non-Newtonian flow solver. The former module generates a random aperture field d(x,y) with isotropic spatial correlations, given a mean aperture ⟨d⟩, a coefficient of variation σd/⟨d⟩, a Hurst exponent (H) and a correlation length (lc), reproducing realistic geometries of geological fractures. In the latter module, a 2-D finite volume scheme is adopted to solve the non-linear lubrication equation describing the flow of an Ellis fluid. The equation is discretized on a staggered grid, so that d(x,y) and the pressure field p(x,y) are defined at different locations. Computational efficiency is achieved by means of the inexact Newton algorithm, with the linearized symmetric system of equations solved via variable-fill-in Incomplete Cholesky Preconditioned Conjugate Gradient method (ICPCG), and a parameter-continuation strategy for the cases with strong nonlinearities. The code proves to be stable and robust when solving flow within strongly heterogeneous fractures (e.g., σd/⟨d⟩=1), even on very fine and coarse meshes (e.g., 214×214) and considering a wide range of power-law exponents (e.g., 0.1≤n≤1). The code is validated by comparing the results against analytical solutions (e.g., parallel plates model, sinusoidal profile) and full 3-D CFD simulations, considering different closures.

How to cite: Lenci, A., Méheust, Y., Putti, M., and Di Federico, V.: An efficient lubrication-based code for solving non-Newtonian flow in geological rough fractures, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-7820, https://doi.org/10.5194/egusphere-egu21-7820, 2021.

11:21–11:23
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EGU21-9384
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ECS
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Jana Erdbrügger, Ilja van Meerveld, Jan Seibert, and Kevin Bishop

For most catchments, there is insufficient data to determine the location of the groundwater surface. For humid climates, it is, therefore, often assumed that the groundwater-surface follows the surface topography. This assumption allows using digital elevation models (DEMs) to estimate the flow directions and catchment boundaries. However, high-resolution elevation data also include many small-scale features that are unlikely to affect the direction of groundwater flow, or only affect it during specific conditions. Furthermore, flow directions may change during events or depending on the water level.

The optimal resolution of the DEM for determining groundwater flow directions is not known yet. Therefore, we studied how much DEM derived flow directions and catchment boundaries are affected by the resolution or smoothing of the elevation data for the Krycklan catchment in northern Sweden. We also measured the groundwater levels in two small sub-catchments to determine what DEM resolution best describes the actual groundwater-surface and flow directions.

For the topographic analyses, the LiDAR-based elevation data were first smoothed with various filters (e.g., Gaussian filters) and resampled to obtain lower resolution elevation data. We then determined the flow directions for these different DEMs. The aim was to determine where in the catchment the calculated flow directions are most sensitive to the resolution of the topographic data. The results of the topographic analyses show that for some areas, particularly flat areas, ridges, streambanks and locations where the local slope differs from the general slope, the calculated flow directions depend strongly on the resolution and smoothing of the elevation data.

To test how well the DEM based groundwater flow directions represent actual flow directions, we installed a dense (5-20 m spacing) network of shallow (1 to 6 m deep) groundwater wells (75 wells in total) in a 1 ha and a 2 ha gauged sub-catchment. The triangular nested design of the groundwater well network allowed us to determine the smaller (5 m) and larger scale (20 m) groundwater gradients. The recorded water levels were augmented and validated by manual measurements during the summers of 2018 and 2019. The high spatial and temporal resolution data allowed us to study the response of the groundwater level and the flow directions to different meteorological situations (e.g., large precipitation events after dry and wet conditions and during a very dry period in summer 2018). These observations indicate that the degree to which the groundwater-surface is a subdued copy of the surface topography varies throughout the year, and provides information on which DEM resolution most accurately represents the groundwater-surface and flow directions.

How to cite: Erdbrügger, J., van Meerveld, I., Seibert, J., and Bishop, K.: Flow directions of shallow groundwater in a boreal catchment, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-9384, https://doi.org/10.5194/egusphere-egu21-9384, 2021.

11:23–11:25
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EGU21-9828
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ECS
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Leonardo Sandoval, Monica Riva, Ivo Colombo, and Alberto Guadagnini

Methane is recognized as a potential energy source in the transition to carbon free energies. Appropriate modeling approaches to quantify methane migration in low permeability geomaterials can assist the appraisal of the feasibility of a methane recovery project. Wu et al. (2016) proposed a model enabling one to estimate the total mass flow rate of the gas as the sum of key processes, including (i) a surface diffusion and two weighted bulk diffusion components, (ii) slip flow, and (iii) Knudsen diffusion. In its isothermal form and taking pressure gradient as boundary condition, the model relies on 10 parameters. These are typically estimated through laboratory-scale experiments. Considering the mechanisms involved, such experiments are costly, time demanding, and their results are prone to uncertainty. The latter is also related to the intrinsic difficulties linked to replicating operational field conditions at the laboratory scale as well as to the desired transferability of results to heterogeneous field scale settings. Due to our still incomplete knowledge of the key mechanisms driving gas movement in low permeability geomaterials and the complexities associated with the estimation of model parameters, model outputs should be carefully analyzed considering all possible sources of uncertainty. In this sense, sensitivity analysis approaches may be used to enhance the quality of parameter estimation workflows, upon focusing efforts on parameters with the highest influence to target model outputs. We rely on two typical global sensitivity analysis approaches (i.e., Variance-based Sobol approach and Morris method) to analyze the behavior of the aforementioned gas migration model targeting low permeability media. Because of the complexity of the physical processes represented in the model and the typical frequency distributions of pore size in caprocks, the sensitivity analysis is performed in two differing settings, each corresponding to a given range of variability of characteristic pore sizes. When considering porous systems with pore size ranging between 2 and 100 nanometers, results based on Sobol indices identify (in decreasing order of importance) pore radius, porosity, pore pressure, and tortuosity as the parameters whose uncertainty significantly imprints model output uncertainty. Similar results are obtained through the analysis of the Morris indices, these identifying the pore radius parameter as the one with the highest contribution to non-linear (or interaction) effects on the model output. For tighter porous media (i.e., with pore size comprised between 2 and 10 nanometers), the Sobol indices analyses identify (in decreasing order of importance) pore pressure, porosity, blockage/migration ratio of adsorbed molecules, and pore radius as the most influential model parameters. The role of the blockage/migration ratio of adsorbed molecules suggests that surface diffusion is a dominant gas transport mechanism in these scenarios. The Morris approach identifies the same parameters as important, albeit in a different order of importance.

References.

Wu, K., Chen, Z., Li, X., Guo, C., Wei, M., 2016. A model for multiple transport mechanisms through nanopores of shale gas reservoirs with real gas effect-adsorption-mechanic coupling. International Journal of Heat and Mass Transfer 93, 408-426. doi: 10.1016/j.ijheatmasstransfer.2015.10.003

How to cite: Sandoval, L., Riva, M., Colombo, I., and Guadagnini, A.: Global sensitivity analysis of a low permeability media gas flow model with multiple transport mechanisms, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-9828, https://doi.org/10.5194/egusphere-egu21-9828, 2021.

11:25–11:27
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EGU21-10305
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ECS
Nele Wenck, Ann Muggeridge, Julian Barnett, and Samuel Krevor

Characterisation of multiphase flow properties is crucial in predicting large-scale fluid behaviour in the subsurface, for example carbon dixoide (CO2) plume migration at Carbon Capture and Storage (CCS) storage sites. Many of the CO2 storage sites worldwide have displayed unexpected fluid flow behaviour. The CO2 injected underground has migrated in reservoirs away from injection points at much faster rates than had previously been predicted with reservoir simulations [1]. It has emerged that conventional flow simulations are not representing the impact of small-scale heterogeneities in multiphase flow properties, which is a key driver behind these unexpected CO2 migration observations [2]. Heterogeneity in the underlying rock structure can cause large variations in porosity and permeability, which manifest as capillary pressure heterogeneity [3-4]. At the low flow potentials typically encountered during CO2 injection, these heterogeneities can significantly impact fluid flow behaviour, typically observed as large saturation variations within the rock [5-6]. In this work, we have combined experimental and numerical methods to characterise the impact of capillary heterogeneities on plume migration at the Endurance proposed storage site to support the Northern Endurance Partnership (NEP) serving the Zero Carbon Humber and Net Zero Teesside projects in the UK. We built on an approach to characterising capillary heterogeneity at the core scale originating in the work of Krause et al. (2011). The workflow combines core flood experimental data with numerical simulations in a history match, with the experimental 3D saturation distribution as a matching target and the capillary pressure characteristics as a fitting parameter [6]. Through this a 3D digital model of the rock core is built, which incorporates spatial variations in permeability, porosity and capillary heterogeneity. We applied this characterisation effort to reservoir samples from a range of depths within the target interval. Subsequently, these digital core models were used in an upscaling procedure to characterise the impact of small-scale heterogeneities on field scale simulations. The workflow has enabled us to make informed predictions on the observed fluid behaviour at the Endurance storage site. The results emphasize the prevalent impact of small-scale capillary heterogeneities on CO2 plume migration, thus underscore the importance of characterising and incorporating them in reservoir models.

1. Global CCS Institute (2019), Global Status of CCS: 2019.
2. Jackson, S. J. and Krevor, S. (2020), ‘Small-Scale Capillary Heterogeneity Linked to Rapid Plume Migration During CO2 Storage’, Geophysical Research Letters 47(18).
3. Pini, R., Krevor, S.C. and Benson, S.M., 2012. Capillary pressure and heterogeneity for the CO2/water system in sandstone rocks at reservoir conditions. Advances in Water Resources, 38, pp.48-59.
4. Reynolds, C.A., Blunt, M.J. and Krevor, S., 2018. Multiphase flow characteristics of heterogeneous rocks from CO 2 storage reservoirs in the United Kingdom. Water Resources Research, 54(2), pp.729-745.
5. Krause, M.H., Perrin, J.C. and Benson, S.M., 2011. Modeling permeability distributions in a sandstone core for history matching coreflood experiments. SPE Journal, 16(04), pp.768-777.
6. Jackson, S. J., Agada, S., Reynolds, C. A. and Krevor, S. (2018), ‘Characterizing Drainage Multiphase Flow in Heterogeneous Sandstones’, Water Resources Research 54(4), 3139–3161.

How to cite: Wenck, N., Muggeridge, A., Barnett, J., and Krevor, S.: The impact of capillary heterogeneity on CO2 plume migration at the Endurance CCS target site in the UK, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-10305, https://doi.org/10.5194/egusphere-egu21-10305, 2021.

11:27–11:29
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EGU21-10517
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ECS
J Jayaraj, S Majid Hassanizadeh, and N Seetha

Nanoparticles enter the subsurface through various sources such as land application of wastewater, landfill leachates, and reuse of treated wastewater for groundwater recharge. Vadose zone acts as a barrier to protect the groundwater by retaining a portion of the infiltrated nanoparticles at solid-water (SWI), and air-water interfaces (AWI), and air-water-solid contact region. Hence, it is important to understand the movement of nanoparticles in the vadose zone to assess the groundwater contamination potential. A mathematical model is developed to simulate the transport and retention of nanoparticles in a single partially-saturated pore in the soil by accounting for particle deposition at SWI, AWI, and contact region. The transport in the pore is modeled using the advection-diffusion equation and the mass exchange with the SWI, AWI, and contact region are modeled as first-ordered reactions that depend on the interaction energy of particles with the interfaces. Contact region is found to play the dominant role in particle retention than SWI and AWI. Pore-scale results indicate that pore size, half corner angle, particle size, contact angle of the particle with AWI and flow velocity influenced the retention the most. The pore-scale results from this study will be further used to upscale particle transport to the continuum scale using pore-network modeling.

How to cite: Jayaraj, J., Hassanizadeh, S. M., and Seetha, N.: Modeling the transport and retention of nanoparticles in a partially saturated pore, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-10517, https://doi.org/10.5194/egusphere-egu21-10517, 2021.

11:29–11:31
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EGU21-10623
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ECS
Andrea Manzoni, Aronne Dell'Oca, Martina Siena, and Alberto Guadagnini

We consider transient three-dimensional (3D) two-phase (oil and water) flows, taking place at the core-scale. In this context, we aim at exploiting the full information content associated with available information of (i) the 3D distribution of oil saturation and (ii) the overall pressure difference across the rock sample, to estimate the set of model parameters. We consider a continuum-scale description of the system behavior upon relying on the widely employed Brooks-Corey model for the characterization of relative permeabilities and on the capillary pressure correlation introduced by Skjaeveland et al. (2000). To provide a transparent way of assessing the results of the inversion, we rely on a synthetic reference scenario. The latter is intended to mimic having at our disposal 3D and section-averaged distributions of (time-dependent) oil saturations of the kind that can be acquired during typical laboratory experiments. These are in turn corrupted by way of a random noise, to address the influence of experimental uncertainties. We focus on diverse scenarios encompassing imbibition and drainage conditions. We employ two population-based optimization algorithms, i.e., (i) the particle swarm optimization (PSO); and (ii) the differential evolution (DE), which enable one to effectively tackle the high-dimensionality parameters space (i.e., 12 dimensions in our setting) we consider. Model calibration results are of satisfactory quality for the majority of the tested scenarios, whereas the DE algorithm is associated with highest effectiveness.

References

S.M. Skjaeveland; L.M. Siqveland; A. Kjosavik; W.L. Hammervold Thomas; G.A. Virnovsky (2000). Capillary Pressure Correlation for Mixed-Wet Reservoirs SPE Res Eval & Eng 3 (01): 60–67. https://doi.org/10.2118/60900-PA

How to cite: Manzoni, A., Dell'Oca, A., Siena, M., and Guadagnini, A.: Inverse modeling of transient three-dimensional core-scale two-phase flows, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-10623, https://doi.org/10.5194/egusphere-egu21-10623, 2021.

11:31–11:33
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EGU21-12308
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ECS
Chiara Recalcati, Martina Siena, Gianlorenzo Bussetti, Monica Riva, Lamberto Duò, and Alberto Guadagnini

Carbonate dissolution processes are key in many environmental areas as well as in the industrial sector. In subsurface environments, a detailed knowledge of mineral dissolution/precipitation kinetic rate laws is a critical component in the context of, e.g., aquifer contamination assessment, geologic carbon sequestration, toxic waste disposal, or hydraulic fracturing of hydrocarbon reservoirs. The recent employment of advanced measurement instruments such as Atomic Force Microscopy (AFM) and Vertical Scanning Interferometry (VSI) enables direct observations of the mechanisms occurring on the mineral surface during the reaction, providing evidence that the dissolution process is strongly affected by several sources of variability at the local (i.e., micro-scale) mineral-fluid interface. In this context result, marked spatial heterogeneities in the dissolution rate are documented. Therefore, a change of perspective towards a quantification based on a stochastic approach is of primary importance. We propose to employ geostatistical tools to characterize the spatial heterogeneity of dissolution rate maps obtained from in-situ and real-time AFM imaging. We collect datasets of the surface topography of a millimeter-scale calcite sample subject to dissolution, from which we evaluate reaction rate maps. Our work is aimed at (1) characterizing the statistical behavior of topography and dissolution rate data and their spatial increments; (2) identifying an appropriate interpretive model for such statistics; and (3) evaluating quantitatively, through observed trends of model parameters, the temporal evolution of the spatial heterogeneity of reaction kinetics.

How to cite: Recalcati, C., Siena, M., Bussetti, G., Riva, M., Duò, L., and Guadagnini, A.: Stochastic characterization of calcite dissolution rate from in-situ and real-time AFM imaging, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-12308, https://doi.org/10.5194/egusphere-egu21-12308, 2021.

11:33–11:35
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EGU21-15713
Leonardo Costa and Paolo Salandin

In the two-year period 2018-2020 the Centre of Hydrology ‘Dino Tonini’ of the University of Padova developed the UNI-Impresa research project SWAT (Subsurface Water quality and Agricultural pracTices monitoring) to study the interactions between agricultural practices, mainly those involved in the production of Prosecco, and the wellhead protection areas in the province of Treviso (Italy). Specific experimental activities, integrated by a modelling analysis of the collected data, were developed to understand the processes affecting the vertical evolution of a glyphosate-based pesticide in the unsaturated soil up to a depth of 0.70 m BGL. The pesticide, along with a non-reactive tracer (potassium bromide), was applied in November 2018 in two experimental sites (Settolo-Valdobbiadene and Colnù-Conegliano) organized nearby well-fields supplying public water systems. Its evolution subjected only to the natural hydrological forcing compared to the infiltration dynamics of the tracer was locally monitored by collecting and analyzing soil and water samples along six months. Both the application and the monitoring activities were carried out in each experimental site on two 25 m2 parcels located at reciprocal distances of 30 m (Settolo) and 115 m (Colnù), obtaining a detailed information about the glyphosate vertical evolution. Each point-wise analysis highlights a strong tendency of the pesticide and its principal metabolite (AMPA) to be adsorbed to the soil matrix rather than to be dissolved in the infiltrated rainwater and carried toward the deeper layers of the soil. However, high concentrations of the pesticide spotted at the depth of -0.70 m suggest that preferential pathways and more intense precipitation events enhance the downward movement of the glyphosate, either dissolved in water or adsorbed to microscopic particles. Differences in the pesticide spatio-temporal evolution were observed between parcels belonging to the same site.  Despite the decay analyzed during the experiments is related to both the chemical-physical properties of the soil, the potential movement is dominated by the heterogeneity of the hydraulic properties of soil. Hence, the evaluation of the infiltration capacity was considered a low-cost proper method to extend the analysis to the field scale (~102 m characteristic length). In the experimental site of Colnù, the spatial variability of the soil infiltration capacity (mm/min) and dynamics has been assessed developing a series of tests using the double ring infiltrometer in 17 different positions within an area of 1.75 ha. The investigated area extends over two contiguous vineyards inside the wellhead protection area. Two tests positions correspond to the site parcels while the remaining were spatially distributed maintaining reciprocal distances ranging between 15 and 50 meters. The measured soil infiltration capacity shows a large spatial variability, up to two orders of magnitude. The geostatistical interpolation (kriging) of the achieved data gives a quantitative estimation of the soil vulnerability at the field scale based on the potentially infiltrating pesticide.

How to cite: Costa, L. and Salandin, P.: From point to field scale results: upscaling pointwise analysis of glyphosate vertical mobility through the spatial knowledge of the soil infiltration capacity, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-15713, https://doi.org/10.5194/egusphere-egu21-15713, 2021.

11:35–11:37
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EGU21-13436
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ECS
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Daniel Bergmeister, Klaus Klebinder, Bernhard Kohl, Ulrich Burger, Georg Orsi, and Florian Lehner

Assessing the water balance including subsurface runoff in high Alpine catchments is still a major challenge due to environmental and meteorological complexity, and mostly data-lacking hydrology. The aim of this study is the determination of the water balance components and water budget with focus on approximation of interflow, subsurface runoff and groundwater interactions, depending on sediment and bedrock properties.

In this process we investigate a small, high data providing Alpine catchment in the Wipp Valley (Tyrol, AT) to evaluate the best modelling approach in order to apply it on catchments along the Austrian Brenner axis. Thus, a direct model comparison of the main study catchment, with its (moderate data providing) neighbouring valley is carried out. The main study catchment (Padaster Valley) covers 11.2 km2 and is located east of Steinach am Brenner in the Wipp Valley. Due to its partially usage as a deposital site, respectively a landfill for the tunnel excavation material of the Brenner Base Tunnel, this valley represents a highly interesting site in a hydrological aspect. Thus, the Padaster Valley is highly monitored and hence predestined for hydrological investigations. Hydrological data such as discharge is measured high frequently on four gauges, meteorological data on two gauges. An additional study catchment (Navis Valley) covers 63 km2 and is located northerly next the Padaster Valley. Seven gauges provide meteorological data, however, continuous discharge data is just measured at the valley mouth. Further meteorological data for both areas will be contributed by the ZAMG (Zentralanstalt für Meteorologie und Geodynamik), whose INCA model provide a high spatial resolution dataset of 1km. However, in order to gain a better overall understanding of subsurface runoff and hydrogeological processes, geological data will be considered and incorporated/integrated in the modelling process. This includes geological maps, - cross sections and geophysical analysis, which help to estimate the bedrock topography, and consequently the volume as well as deeper seated hydrogeological properties of the sediment cover. In this context, continuous data from 7 groundwater observation wells provide information regarding groundwater levels and hydraulic head. To increase the model accuracy regarding subsurface flow processes, subsurface-depending runoff types after Pirkl & Sausgruber (2015) are applied. Furthermore, several maps such as land use, surface runoff coefficient and soil map including grain size distribution of the layers have been compiled by in-situ fieldwork for this study. In order to model the water budget, subsurface runoff and overall hydrological slope properties, the distributed hydrological Model WaSIM (Richards version; Schulla, 1997) is applied. The model is based on a modular system which uses physically-based algorithms.

The present study is been carried out by the Austrian Research Centre for Forests (BFW) in collaboration with the Brenner Base Tunnel (BBT-SE).

How to cite: Bergmeister, D., Klebinder, K., Kohl, B., Burger, U., Orsi, G., and Lehner, F.: Water budget and subsurface runoff determination for small Alpine catchments using WaSIM, EGU General Assembly 2021, online, 19–30 Apr 2021, EGU21-13436, https://doi.org/10.5194/egusphere-egu21-13436, 2021.

11:37–12:30