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Fagerlund, Fritjof
Publications (10 of 79) Show all publications
Babakhani, P., Fagerlund, F., Shamsai, A., Lowry, G. V. & Phenrat, T. (2018). Modified MODFLOW-based model for simulating the agglomeration and transport of polymer-modified Fe0 nanoparticles in saturated porous media. Environmental science and pollution research international, 25(8), 7180-7199
Open this publication in new window or tab >>Modified MODFLOW-based model for simulating the agglomeration and transport of polymer-modified Fe0 nanoparticles in saturated porous media
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2018 (English)In: Environmental science and pollution research international, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 25, no 8, p. 7180-7199Article in journal (Refereed) Published
Abstract [en]

The solute transport model MODFLOW has become a standard tool in risk assessment and remediation design. However, particle transport models that take into account both particle agglomeration and deposition phenomena are far less developed. The main objective of the present study was to evaluate the feasibility of adapting the standard code MODFLOW/MT3D to simulate the agglomeration and transport of three different types of polymer-modified nanoscale zerovalent iron (NZVI) in one-dimensional (1-D) and two-dimensional (2-D) saturated porous media. A first-order decay of the particle population was used to account for the agglomeration of particles. An iterative technique was used to optimize the model parameters. The model provided good matches to 1-D NZVI-breakthrough data sets, with R 2 values ranging from 0.96 to 0.99, and mass recovery differences between the experimental results and simulations ranged from 0.1 to 1.8 %. Similarly, simulations of NZVI transport in the heterogeneous 2-D model demonstrated that the model can be applied to more complicated heterogeneous domains. However, the fits were less good, with the R 2 values in the 2-D modeling cases ranging from 0.75 to 0.95, while the mass recovery differences ranged from 0.7 to 6.5 %. Nevertheless, the predicted NZVI concentration contours during transport were in good agreement with the 2-D experimental observations. The model provides insights into NZVI transport in porous media by mathematically decoupling agglomeration, attachment, and detachment, and it illustrates the importance of each phenomenon in various situations.

Keywords
NZVI, Transport, Aggregation, Numerical simulation, MODFLOW, Saturated porous media
National Category
Earth and Related Environmental Sciences
Identifiers
urn:nbn:se:uu:diva-271355 (URN)10.1007/s11356-015-5193-0 (DOI)000427398200010 ()26300356 (PubMedID)
Available from: 2016-01-07 Created: 2016-01-07 Last updated: 2018-05-25Bibliographically approved
Tian, L., Wilkinson, R., Yang, Z., Power, H., Fagerlund, F. & Niemi, A. (2017). Gaussian Process Emulators for Quantifying Uncertainty in CO2 Spreading Predictions in Heterogeneous Media. Computers & Geosciences
Open this publication in new window or tab >>Gaussian Process Emulators for Quantifying Uncertainty in CO2 Spreading Predictions in Heterogeneous Media
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2017 (English)In: Computers & Geosciences, ISSN 0098-3004, E-ISSN 1873-7803Article in journal (Refereed) Published
Abstract [en]

We explore the use of Gaussian process emulators (GPE) in the numerical simulation of CO2 injection into a deep heterogeneous aquifer. The model domain is a two-dimensional, log-normally distributed stochastic permeability field. We first estimate the cumulative distribution functions (CDFs) of the CO2 breakthrough time and the total CO2 mass using a computationally expensive Monte Carlo (MC) simulation. We then show that we can accurately reproduce these CDF estimates with a GPE, using only a small fraction of the computational cost required by traditional MC simulation. In order to build a GPE that can predict the simulator output from a permeability field consisting of 1000s of values, we use a truncated Karhunen-Loève (K-L) expansion of the permeability field, which enables the application of the Bayesian functional regression approach. We perform a cross-validation exercise to give an insight of the optimization of the experiment design for selected scenarios: we find that it is sufficient to use 100s values for the size of the training set and that it is adequate to use as few as 15 K-L components. Our work demonstrates that GPE with truncated K-L expansion can be effectively applied to uncertainty analysis associated with modeling of multiphase flow and transport processes in heterogeneous media.

Keywords
CO2, Bayesian, Permeability, KL expansion, Monte Carlo, Cumulative distribution function, Uncertainty analysis
National Category
Geosciences, Multidisciplinary Computer Sciences
Identifiers
urn:nbn:se:uu:diva-298748 (URN)10.1016/j.cageo.2017.04.006 (DOI)000404697000011 ()
Funder
EU, FP7, Seventh Framework Programme, 227286EU, FP7, Seventh Framework Programme, 282900EU, FP7, Seventh Framework Programme, 309067
Available from: 2016-07-06 Created: 2016-07-06 Last updated: 2018-02-06Bibliographically approved
Rasmusson, M., Fagerlund, F., Rasmusson, K., Tsang, Y. & Niemi, A. (2017). Refractive-Light-Transmission Technique Applied to Density-Driven Convective Mixing in Porous Media With Implications for Geological CO2 Storage. Water resources research, 53(11), 8760-8780
Open this publication in new window or tab >>Refractive-Light-Transmission Technique Applied to Density-Driven Convective Mixing in Porous Media With Implications for Geological CO2 Storage
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2017 (English)In: Water resources research, ISSN 0043-1397, E-ISSN 1944-7973, Vol. 53, no 11, p. 8760-8780Article in journal (Refereed) Published
Abstract [en]

Density-driven convection has been identified to accelerate the rate of CO2 solubility trapping during geological CO2 storage in deep saline aquifers. In this paper, we present an experimental method using the refractive properties of fluids (their impact on light transmission), and an analogous system design, which enables the study of transport mechanisms in saturated porous media. The method is used to investigate solutally induced density-driven convective mixing under conditions relevant to geological CO2 storage. The analogous system design allows us by choice of initial solute concentration and bead size to duplicate a wide range of conditions (Ra-values), making it possible to study the convective process in general, and as a laboratory analogue for systems found in the field. We show that the method accurately determines the solute concentration in the system with high spatial and temporal resolution. The onset time of convection (t(c)), mass flux (F), and flow dynamics are quantified and compared with experimental and numerical findings in the literature. Our data yield a scaling law for tc which gives new insight into its dependence on Ra, indicating t(c) to be more sensitive to large Ra than previously thought. Furthermore, our data show and explain why F is described equally well by a Ra-dependent or a Ra-independent scaling law. These findings improve the understanding of the physical process of convective mixing in saturated porous media in general and help to assess the CO2 solubility trapping rate under certain field conditions.

Place, publisher, year, edition, pages
American Geophysical Union (AGU), 2017
Keywords
carbon dioxide, CCS, density-driven convection, experiment, refraction, solubility trapping
National Category
Environmental Sciences Oceanography, Hydrology and Water Resources
Identifiers
urn:nbn:se:uu:diva-339703 (URN)10.1002/2017WR020730 (DOI)000418736700007 ()
Available from: 2018-01-26 Created: 2018-01-26 Last updated: 2018-03-03Bibliographically approved
Leroy, P., Weigand, M., Meriguet, G., Zimmermann, E., Tournassat, C., Fagerlund, F., . . . Huisman, J. A. (2017). Spectral induced polarization of Na-montmorillonite dispersions. Journal of Colloid and Interface Science, 505, 1093-1110
Open this publication in new window or tab >>Spectral induced polarization of Na-montmorillonite dispersions
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2017 (English)In: Journal of Colloid and Interface Science, ISSN 0021-9797, E-ISSN 1095-7103, Vol. 505, p. 1093-1110Article in journal (Refereed) Published
Abstract [en]

Montmorillonite (Mt) clays have a high specific surface area and surface charge, which confer them remarkable adsorption properties. Nevertheless, their electrochemical and aggregation behavior are not completely elucidated because of the complexity of their microstructural and interfacial properties. In this work, the conductive and dispersive properties of Na-Mt suspensions of weight fractions 0.5-5.2% were investigated for the first time using the spectral induced polarization method. A four-electrode system was used to reduce errors introduced by electrode polarization and contact resistances. Complex conductivity spectra in the low-frequency range of 0.1 Hz to 45 kHz were successfully described using a triple layer model of the basal surface of Mt and a complex conductivity model that considers conduction of the diffuse layer and polarization of the Stern layer. Aggregate size distributions were inferred from inverted relaxation time distributions. We found that the negative and permanent surface charge of the basal plane of Na-Mt controls its quadrature (imaginary) conductivity, which is not very sensitive to pH and salinity (NaCI) in the 100 Hz to 45 kHz frequency range. For lower frequencies, the sudden increase of the quadrature conductivity at the highest salinities was explained by considering coagulation of Na-Mt particles.

Place, publisher, year, edition, pages
ACADEMIC PRESS INC ELSEVIER SCIENCE, 2017
Keywords
Na-montmorillonite, Dispersions, Spectral induced polarization, Conductivity, Dielectric permittivity, Basal plane, Surface charge, Stern layer, Diffuse layer
National Category
Geochemistry
Identifiers
urn:nbn:se:uu:diva-335115 (URN)10.1016/j.jcis.2017.06.071 (DOI)000410464100117 ()28697548 (PubMedID)
Available from: 2017-12-01 Created: 2017-12-01 Last updated: 2017-12-01Bibliographically approved
Tian, L., Yang, Z., Fagerlund, F. & Niemi, A. (2016). Effects of permeability heterogeneity on CO2 injectivity and storage efficiency coefficient. Greenhouse Gases: Science and Technology, 6(1), 112-124
Open this publication in new window or tab >>Effects of permeability heterogeneity on CO2 injectivity and storage efficiency coefficient
2016 (English)In: Greenhouse Gases: Science and Technology, E-ISSN 2152-3878, Vol. 6, no 1, p. 112-124Article in journal (Refereed) Published
Abstract [en]

We study the dependency of CO2 storage efficiency coefficient (E) and injectivity index (Iinj) on the geostatistical parameters of the permeability field. CO2 injection simulations are conducted for multiple realizations of log-normally distributed permeability fields parameterized by log permeability standard deviation (𝜎) and dimensionless horizontal correlation length (𝜆). Results show that the injectivity index increases with increasing 𝜆, the magnitude of the effect depending on 𝜎. Increasing 𝜎 leads to poorer injectivity for cases with small 𝜆, but improves injectivity when 𝜆 is large. Further analysis indicates that the enhancing effect of 𝜎 on injectivity can be attributed to cases with channelized flow, while the decrease effect of 𝜎 is seen in more dispersive flow regime. The dependence of injectivity on both 𝜆 and 𝜎 is captured with a linear correlation between Iinj and a parameter group (𝜆/ξ)𝜎, where ξ is a dimensionless scaling parameter. The storage efficiency coefficient, on the other hand, decreases with both increasing 𝜎 and 𝜆, and a simple linear fit is found between E and the parameter group 𝜆𝜎2, a well-established heterogeneity parameter group describing e.g. macro-dispersivity in solute transport studies. The above relationships provide potentially useful tools for preliminary evaluation of a site. Future studies should address the validity of the relationships in alternative injection scenarios and domain geometries.

Keywords
CO2 sequestration; storage capacity; injectivity; permeability heterogeneity; numerical simulation
National Category
Oceanography, Hydrology and Water Resources Geophysical Engineering
Identifiers
urn:nbn:se:uu:diva-279379 (URN)10.1002/ghg.1540 (DOI)000369976400010 ()
Funder
EU, FP7, Seventh Framework Programme, MustangEU, FP7, Seventh Framework Programme, PanaceaSwedish National Infrastructure for Computing (SNIC), p2007023
Available from: 2016-03-03 Created: 2016-03-01 Last updated: 2018-01-16
Sharma, P., Fagerlund, F., Iverfeldt, U. & Eskebaek, A. (2016). Fate and Transport of Fire-Born Particles in Porous Media. Technologies, 4(2)
Open this publication in new window or tab >>Fate and Transport of Fire-Born Particles in Porous Media
2016 (English)In: Technologies, ISSN 2227-7080, Vol. 4, no 2Article in journal (Refereed) Published
Abstract [en]

A variety of hazardous substances may be generated from the burning materials during fire extinguishing operations, depending on the location, type, and place of the fire. As a result, the fire-extinguishing water may act as a carrier for these nano- and micro-sized fire-born particles, including various types of associated contaminants, and may cause contamination of soil and groundwater resources. While airborne particles from fires have been studied, it is currently not well known what types of nano- and micro-sized contaminants are typically carried by the fire-extinguishing water and how these contaminants can be transported in the natural environment. The main purpose of this study was to increase the understanding about the occurrence and physical and chemical properties of nanoparticles commonly found in discharge water from fire extinguishing operations. The current study was based on collection of original samples from a fire location. A detailed characterization of the particles present in the extinguishing water was performed including both quantification of contaminants associated with the particles (such as metals and polycyclic aromatic hydrocarbons (PAHs) as well as measurement of properties related to the mobility of these particles through porous media. Such mobility properties include size distributions of the particles and the porous media, surface charges and solution chemistry). Results indicate that metals and PAHs are present in both finer and relatively larger fire-born particles. The particles larger than 11 µm were not mobile in porous media. The mobility of the finer particles (<11 µm) was generally high but was dependent on the solution chemistry. Low mobility of large particles in porous media indicates that a large amount of the contamination can likely be trapped in the top soil layer even though the fire extinguishing water infiltrates

Keywords
Fire particles, carbon, transport, retention, straining, porous media
National Category
Earth and Related Environmental Sciences
Identifiers
urn:nbn:se:uu:diva-271501 (URN)10.3390/technologies4010002 (DOI)000398898300002 ()
Available from: 2016-01-08 Created: 2016-01-08 Last updated: 2017-10-30Bibliographically approved
Yang, Z., Neuweiler, I., Meheust, Y., Fagerlund, F. & Niemi, A. (2016). Fluid trapping during capillary displacement in fractures. Advances in Water Resources, 95, 264-275
Open this publication in new window or tab >>Fluid trapping during capillary displacement in fractures
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2016 (English)In: Advances in Water Resources, ISSN 0309-1708, E-ISSN 1872-9657, Vol. 95, p. 264-275Article in journal (Refereed) Published
Abstract [en]

The spatial distribution of fluid phases and the geometry of fluid–fluid interfaces resulting from immiscible displacement in fractures cast decisive influence on a range of macroscopic flow parameters. Most importantly, these are the relative permeabilities of the fluids as well as the macroscopic irreducible saturations. They also influence parameters for component (solute) transport, as it usually occurs through one of the fluid phase only. Here, we present a numerical investigation on the critical role of aperture variation and spatial correlation on fluid trapping and the morphology of fluid phase distributions in a geological fracture. We consider drainage in the capillary dominated regime. The correlation scale, that is, the scale over which the two facing fracture walls are matched, varies among the investigated geometries between L/256 and L (self-affine fields), L being the domain/fracture length. The aperture variability is quantified by the coefficient of variation (δ), ranging among the various geometries from 0.05 to 0.25. We use an invasion percolation based model which has been shown to properly reproduce displacement patterns observed in previous experiments. We present a quantitative analysis of the size distribution of trapped fluid clusters. We show that when the in-plane curvature is considered, the amount of trapped fluid mass first increases with increasing correlation scale Lc and then decreases as Lc further increases from some intermediate scale towards the domain length scale L. The in-plane curvature contributes to smoothening the invasion front and to dampening the entrapment of fluid clusters of a certain size range that depends on the combination of random aperture standard deviation and spatial correlation.

Keywords
Fracture; Two-phase flow; Drainage; Curvature; Invasion percolation; Fluid trapping
National Category
Earth and Related Environmental Sciences
Identifiers
urn:nbn:se:uu:diva-270274 (URN)10.1016/j.advwatres.2015.07.015 (DOI)000383299300021 ()
Funder
Swedish Research Council, 637-2014-445EU, FP7, Seventh Framework Programme, 282900
Available from: 2015-12-22 Created: 2015-12-22 Last updated: 2017-12-01Bibliographically approved
Niemi, A., Bensabat, J., Shtivelman, V., Edlmann, K., Gouze, P., Luquot, L., . . . Freifeld, B. (2016). Heletz experimental site overview, characterization and data analysis for CO2 injection and geological storage. International Journal of Greenhouse Gas Control, 48, 3-23
Open this publication in new window or tab >>Heletz experimental site overview, characterization and data analysis for CO2 injection and geological storage
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2016 (English)In: International Journal of Greenhouse Gas Control, ISSN 1750-5836, E-ISSN 1878-0148, Vol. 48, p. 3-23Article in journal (Refereed) Published
Abstract [en]

This paper provides an overview of the site characterization work at the Heletz site, in preparation to scientifically motivated CO2 injection experiments. The outcomes are geological and hydrogeological models with associated medium properties and baseline conditions. The work has consisted on first re-analyzing the existing data base from similar to 40 wells from the previous oil exploration studies, based on which a 3-dimensional structural model was constructed along with first estimates of the properties. The CO2 injection site is located on the saline edges of the Heletz depleted oil field. Two new deep (> 1600 m) wells were drilled within the injection site and from these wells a detailed characterization program was carried out, including coring, core analyses, fluid sampling, geophysical logging, seismic survey, in situ hydraulic testing and measurement of the baseline pressure and temperature. The results are presented and discussed in terms of characteristics of the reservoir and cap-rock, the mineralogy, water composition and other baseline conditions, porosity, permeability, capillary pressure and relative permeability. Special emphasis is given to petrophysical properties of the reservoir and the seal, such as comparing the estimates determined by different methods, looking at their geostatistical distributions as well as changes in them when exposed to CO2.

Keywords
Deep geologic storage of CO2, Site characterization, Site properties, CO2 injection
National Category
Geosciences, Multidisciplinary
Identifiers
urn:nbn:se:uu:diva-299606 (URN)10.1016/j.ijggc.2015.12.030 (DOI)000378004200002 ()
Funder
EU, FP7, Seventh Framework Programme, 227286 309067Swedish Research Council
Available from: 2016-07-25 Created: 2016-07-25 Last updated: 2017-11-28Bibliographically approved
Fagerlund, F., Hellman, F., Målqvist, A. & Niemi, A. (2016). Multilevel Monte Carlo methods for computing failure probability of porous media flow systems. Advances in Water Resources, 94, 498-509
Open this publication in new window or tab >>Multilevel Monte Carlo methods for computing failure probability of porous media flow systems
2016 (English)In: Advances in Water Resources, ISSN 0309-1708, E-ISSN 1872-9657, Vol. 94, p. 498-509Article in journal (Refereed) Published
National Category
Computational Mathematics Oceanography, Hydrology and Water Resources
Identifiers
urn:nbn:se:uu:diva-298476 (URN)10.1016/j.advwatres.2016.06.007 (DOI)000381529000037 ()
Available from: 2016-06-15 Created: 2016-07-05 Last updated: 2018-01-10Bibliographically approved
Basirat, F., Fagerlund, F., Denchik, N., Pezard, P. A. & Niemi, A. (2016). Numerical modelling of CO2 injection at small-scale field experimental site in Maguelone, France. International Journal of Greenhouse Gas Control, 54, 200-210
Open this publication in new window or tab >>Numerical modelling of CO2 injection at small-scale field experimental site in Maguelone, France
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2016 (English)In: International Journal of Greenhouse Gas Control, ISSN 1750-5836, E-ISSN 1878-0148, Vol. 54, p. 200-210Article in journal (Refereed) Published
Abstract [en]

To evaluate the performance of downhole and surface geophysical monitoring methods, a series of shallow gas injection-monitoring experiments has been performed in a coastal saline aquifer at Maguelone, France. The recorded data include pressure measurements with a Westbay multilevel completion and CO2 saturation at an observation well derived from electrical resistivity with a modified Waxman-Smits (MWS) model. In this work, the aim is to develop a simulation model capturing the gas transport behavior and consistent with field data. For this purpose, the simulation of the CO2 injection experiment is carried out with two conceptual models, a homogeneous model and a heterogeneous model treated with multiple realization Monte Carlo simulations. Numerical simulator TOUGH2 with the equation of state module EOS7C is used for the simulations. Comparison of the model results with field data suggests that the pressure responses are captured with relatively good accuracy. Similarly, the model also provides an overall reasonable agreement and correct order of magnitude for predicted gas saturation values. However, as the heterogeneity pattern in the field data remains largely unknown, the model predictions can only be used to capture the mean behavior as well as to provide insights into how heterogeneity can influence the system behavior, by means of sensitivity analyses of the influence of heterogeneities on individual realizations.

Keywords
CO2 storage, CO2 injection, Shallow aquifer, Downhole and pressure monitoring, Numerical simulation, Heterogeneity, Electrical resistivity, Downhole geophysical monitoring
National Category
Geosciences, Multidisciplinary
Identifiers
urn:nbn:se:uu:diva-311204 (URN)10.1016/j.ijggc.2016.09.006 (DOI)000387781500015 ()
Funder
EU, FP7, Seventh Framework Programme, 227286 309367
Available from: 2016-12-22 Created: 2016-12-22 Last updated: 2017-11-29
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