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Fagerlund, Fritjof
Publications (10 of 85) Show all publications
Moghadasi, R., Joodaki, S., Basirat, F., Fagerlund, F., Bensabat, J. & Niemi, A. (2019). A Stochastic Model for Interpreting the Partitioning Tracer Recovery from Residual Trapping Experiment at Heletz, Israel, Pilot Injection Site. In: : . Paper presented at EGU General Assembly 2019, 7–12 April 2019, Vienna, Austria.
Open this publication in new window or tab >>A Stochastic Model for Interpreting the Partitioning Tracer Recovery from Residual Trapping Experiment at Heletz, Israel, Pilot Injection Site
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2019 (English)Conference paper, Poster (with or without abstract) (Refereed)
Abstract [en]

Residual trapping is one of the key trapping mechanisms for geological storage of CO2. While relatively abundant experimental data exists on laboratory cores, only very few experiments have attempted to address this parameter in the field. As part of the experimental program at Heletz, Israel, pilot CO2 injection site (Niemi et al. 2012, 2016), two small-scale push-pull CO2 injection experiments were carried out to determine residual trapping in-situ (Niemi et al. 2012). In the second one of these experiments, carried out in 2017, the main method for characterizing the residual trapping was injection of partitioning tracer Krypton before and after creating the residually trapped zone. This paper presents one of the model interpretations of the tracer experiment, by assuming a stochastically heterogeneous interpretation of the properties of the storage reservoir. Based on field data on layer properties, heterogeneous models are generated using geostatistical library GSLIB (Finsterle and Kowalsky 2007) and multiple realization Monte Carlo simulations of the experiment test sequence are carried out using the simulator iTOUGH with the equation of state modules EOS7C/ECO2N (Pruess 2005: Oldenburg et al. 2004). Effect of heterogeneity characteristics on simulated tracer recovery is analyzed and compared to that from the field data. The results provide us a better understanding on how heterogeneity effects can influence partitioning tracer behavior and its partitioning into trapped CO2.

Keywords
Geological CO2 storage, residual trapping, partitioning tracers, heterogeneity, MonteCarlo simulation
National Category
Earth and Related Environmental Sciences
Identifiers
urn:nbn:se:uu:diva-400088 (URN)
Conference
EGU General Assembly 2019, 7–12 April 2019, Vienna, Austria
Available from: 2020-01-07 Created: 2020-01-07 Last updated: 2020-03-12Bibliographically approved
Babakhani, P., Bridge, J., Phenrat, T., Fagerlund, F., Doong, R.-a. & Whittle, K. R. (2019). Comparison of a new mass-concentration, chain-reaction model with the population-balance model for early- and late-stage aggregation of shattered graphene oxide nanoparticles. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 582, Article ID 123862.
Open this publication in new window or tab >>Comparison of a new mass-concentration, chain-reaction model with the population-balance model for early- and late-stage aggregation of shattered graphene oxide nanoparticles
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2019 (English)In: Colloids and Surfaces A: Physicochemical and Engineering Aspects, ISSN 0927-7757, E-ISSN 1873-4359, Vol. 582, article id 123862Article in journal (Refereed) Published
Abstract [en]

Aggregation as an essential mechanism impacting nanoparticle (NP) functionality, fate, and transport in the environment is currently modelled using population-balance equation (PBE) models which are computationally expensive when combined with other continuum-scale reactive transport models. We propose a new simple mass-concentration-based, chain-reaction modelling (CRM) framework to alleviate computational expenses of PBE and potentially to facilitate combination with other fate, transport, and reaction models. Model performance is compared with analytical PBE solution and a standard numerical PBE technique (fixed pivot, FP) by fitting against experimental data (i.e., hydrodynamic diameter and derived count rate of dynamic light scattering used as a representative of mass concentration) for early- and late-stage, aggregation of shattered graphene oxide (SGO) NP across a broad range of solution chemistries. In general, the CRM approach demonstrates a better match with the experimental data with a mean Nash-Sutcliffe model efficiency (NSE) coefficient of 0.345 than the FP model with a mean NSE of 0.29. Comparing model parameters (aggregation rate constant and fractal dimension) obtained from fitting CRM and FP to the experimental data, similar trends or ranges are obtained between the two approaches. Computationally, the modified CRM is an order-of-magnitude faster than the FP technique, suggesting that it can be a promising modelling framework for efficient and accurate modelling of NP aggregation. However, in the scope of this study, reaction rate coefficients of the CRM have been linked to collision frequencies based on simplified and empirical relationships which need improvement in future studies.

Place, publisher, year, edition, pages
ELSEVIER, 2019
Keywords
Nanoparticles, Environmental fate and transport, Early and late aggregation, Sedimentation, Chain reaction model, Mass concentration
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-396418 (URN)10.1016/j.colsurfa.2019.123862 (DOI)000489727400021 ()
Available from: 2019-11-07 Created: 2019-11-07 Last updated: 2019-11-07Bibliographically approved
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
Rasmusson, K., Rasmusson, M., Tsang, Y., Benson, S., Hingerl, F., Fagerlund, F. & Niemi, A. (2018). Residual trapping of carbon dioxide during geological storage: insight gained through a pore-network modeling approach. International Journal of Greenhouse Gas Control, 74, 62-78
Open this publication in new window or tab >>Residual trapping of carbon dioxide during geological storage: insight gained through a pore-network modeling approach
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2018 (English)In: International Journal of Greenhouse Gas Control, ISSN 1750-5836, E-ISSN 1878-0148, Vol. 74, p. 62-78Article in journal (Refereed) Published
Abstract [en]

To reduce emissions of the greenhouse gas CO2 to the atmosphere, sequestration in deep saline aquifers is a viable strategy. Residual trapping is a key containment process important to the success of CO2 storage operations. While residual trapping affects CO2 migration over large scales, it is inherently a pore-scale process. Pore-network models (PNMs), capturing such processes, are useful for our understanding of residual trapping, and for upscaling trapping parameters for larger scale models. A PNM for simulation of quasi-static two-phase flow; CO2 intrusion (drainage) followed by water flooding (imbibition) was developed. It accounts for pore-scale displacement mechanisms, and was used to investigate residual CO2 trapping. The sensitivity of the residual CO2 saturation to several parameters was studied, to validate a trapping behavior in agreement with earlier studies. Then the PNM was calibrated to core sample data and used to simulate drainage-imbibition scenarios with different turning point saturations. From these the initial-residual saturation curves of CO2 in Heletz sandstone were estimated, essential for future macroscopic-scale simulations. Further, the occurrence of different pore-scale mechanisms were quantified and the size distribution of the residual clusters was shown to exhibit a bimodal appearance. The findings improve the understanding of residual trapping in Heletz sandstone.

National Category
Earth and Related Environmental Sciences
Identifiers
urn:nbn:se:uu:diva-327991 (URN)10.1016/j.ijggc.2018.04.021 (DOI)000434428100007 ()
Funder
EU, FP7, Seventh Framework Programme, 309067Swedish Energy Agency, 43526-1
Available from: 2017-08-15 Created: 2017-08-15 Last updated: 2018-08-30Bibliographically approved
Niemi, A., Bensabat, J., Joodaki, S., Basirat, F., Hedayati, M., Yang, Z., . . . Fagerlund, F. (2018). Study of CO2 Residual Trapping In-Situ – Results from Push- Pull Experiments at Heletz (Israel) Pilot CO2 Injection Site. In: IEAGHG (Ed.), International Conference on Greenhouse Gas Control Technologies, GHGT-14 21st -25th October 2018, Melbourne, Australia: . Paper presented at 14th International Conference on Greenhouse Gas Control Technologies, GHGT-14 21st -25th October 2018, Melbourne, Australia.
Open this publication in new window or tab >>Study of CO2 Residual Trapping In-Situ – Results from Push- Pull Experiments at Heletz (Israel) Pilot CO2 Injection Site
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2018 (English)In: International Conference on Greenhouse Gas Control Technologies, GHGT-14 21st -25th October 2018, Melbourne, Australia / [ed] IEAGHG, 2018Conference paper, Published paper (Refereed)
Keywords
Residual trapping, in-situ experiments, push-pull experiments, hydraulc tests, tracer tests, core samples, pore network modeling
National Category
Earth and Related Environmental Sciences
Identifiers
urn:nbn:se:uu:diva-393663 (URN)
Conference
14th International Conference on Greenhouse Gas Control Technologies, GHGT-14 21st -25th October 2018, Melbourne, Australia
Funder
Swedish Energy Agency, 43526-1EU, FP7, Seventh Framework Programme, n 309607
Available from: 2019-09-25 Created: 2019-09-25 Last updated: 2019-12-06Bibliographically approved
Rasmusson, M., Rasmusson, K., Fagerlund, F., Tsang, Y. & Niemi, A. (2018). The impact of co-contaminant SO2, versus salinity and thermodynamic conditions, on residual CO2 trapping during geological storage. Greenhouse Gases: Science and Technology, 8(6), 1053-1065
Open this publication in new window or tab >>The impact of co-contaminant SO2, versus salinity and thermodynamic conditions, on residual CO2 trapping during geological storage
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2018 (English)In: Greenhouse Gases: Science and Technology, E-ISSN 2152-3878, Vol. 8, no 6, p. 1053-1065Article in journal (Refereed) Published
Abstract [en]

During geological storage in deep saline aquifers, immobilization of CO2 in reservoir rock determines both storage safety and capacity. Assessment of the sensitivity of residual trapping to different parameters (interfacial tension and contact angles) and the storage conditions affecting these is therefore of great importance. One aspect of concern is the presence of co-contaminants such as SO2 in the injected gas. Using experimentally measured values of interfacial tensions and contact angles, we apply pore-network modelling (which accounts for pore-scale mechanisms such as snap-off, cooperative pore body filling and piston-type displacement) to a generic sandstone network to quantify the impact of SO2 co-injection on residual CO2 trapping, and its relative importance as compared to the influences of thermodynamic conditions and salinity. We show that the presence of small amounts of SO2 in the injected CO2 has a notable positive effect on the amount of CO2 becoming residually trapped (similar to 3% increase at 1 wt% SO2). However, this effect is small compared to that of the brine salinity (similar to 20% decrease in residually trapped CO2 over the salinity range 0.2 to 5 M NaCl). Still, co-injection of SO2 could potentially favour the residual trapping of CO2 in reservoir rocks, especially at storage sites with inclined aquifers where the CO2 is set to migrate hydro-dynamically over long distances. The salinity of the resident brine is of primary importance during storage site selection. Furthermore, sensitivity analysis shows that the advancing contact angle strongly impacts residual CO2 trapping. 

Place, publisher, year, edition, pages
WILEY PERIODICALS, INC, 2018
Keywords
capillary trapping, carbon dioxide, co-injection, impurities, pore-network model, sulfur dioxide
National Category
Oceanography, Hydrology and Water Resources
Identifiers
urn:nbn:se:uu:diva-371116 (URN)10.1002/ghg.1816 (DOI)000451042600006 ()
Funder
Swedish Research Council, 2010-3657EU, FP7, Seventh Framework Programme, 282900EU, FP7, Seventh Framework Programme, 309102
Available from: 2018-12-28 Created: 2018-12-28 Last updated: 2018-12-28Bibliographically approved
Niemi, A., Edlmann, K., Carrera, J., Juhlin, C., Tatomir, A., Ghergut, I., . . . McDermott, C. I. (2017). Chapter 7: Site Characterization. In: Niemi, Auli, Bear, Jacob and Bensabat, Jacob (Ed.), Geological Storage Of Co2 in Deep Saline Formations: (pp. 309-380). Dordrecht: Springer Netherlands
Open this publication in new window or tab >>Chapter 7: Site Characterization
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2017 (English)In: Geological Storage Of Co2 in Deep Saline Formations / [ed] Niemi, Auli, Bear, Jacob and Bensabat, Jacob, Dordrecht: Springer Netherlands, 2017, p. 309-380Chapter in book (Refereed)
Abstract [en]

A necessary first step in qualifying a specific site for CO2 storage and for quantifying its relevant properties is a proper site characterization. Site characterization provides the ultimate input data for reservoir modeling and for all the predictions concerning the storage complex and its surroundings. It also provides baseline information for monitoring the behavior of injected CO2. It also incorporates input from laboratory experiments described in Chap.6. This chapter gives an overview of site characterization procedures with respect to geological storage of CO2, by starting from regulatory requirements and guidelines and proceeding to specific methodologies for assessing the sites properties in terms of CO2 geological storage.

Place, publisher, year, edition, pages
Dordrecht: Springer Netherlands, 2017
Series
Theory and Applications of Transport in Porous Media, ISSN 0924-6118, E-ISSN 2213-6940 ; 29
National Category
Oceanography, Hydrology and Water Resources Geosciences, Multidisciplinary
Identifiers
urn:nbn:se:uu:diva-329615 (URN)10.1007/978-94-024-0996-3_7 (DOI)978-94-024-0994-9 (ISBN)978-94-024-0996-3 (ISBN)
Available from: 2017-09-19 Created: 2017-09-19 Last updated: 2019-11-22Bibliographically 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
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