| 1. |
- Babakhani, Peyman, et al.
(författare)
-
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
- 2019
-
Ingår i: Colloids and Surfaces A. - : ELSEVIER. - 0927-7757 .- 1873-4359. ; 582
-
Tidskriftsartikel (refereegranskat)abstract
- 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.
|
|
| 2. |
- Babakhani, Peyman, et al.
(författare)
-
Modified MODFLOW-based model for simulating the agglomeration and transport of polymer-modified Fe0 nanoparticles in saturated porous media
- 2018
-
Ingår i: Environmental Science and Pollution Research. - : Springer Science and Business Media LLC. - 0944-1344 .- 1614-7499. ; 25:8, s. 7180-7199
-
Tidskriftsartikel (refereegranskat)abstract
- 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.
|
|
| 3. |
- Basirat, Farzad, et al.
(författare)
-
Experimental and modeling investigation of CO2 flow and transport in a coupled domain of porous media and free flow
- 2015
-
Ingår i: International Journal of Greenhouse Gas Control. - : Elsevier BV. - 1750-5836 .- 1878-0148. ; 42, s. 461-470
-
Tidskriftsartikel (refereegranskat)abstract
- A solid understanding of the transport mechanisms of gaseous CO2 near the land surface is necessary for developing reliable monitoring techniques and predictive models for possible CO2 leakage from deep underground storage. The objective of this work has been to develop an experimental method along with a simulation model for gaseous CO2 flow and transport in a system including both the porous media and the free air space above it. The experimental system consisted of a two-dimensional bench scale rectangular sandbox containing homogenous sand with an open space of still air above it. Gaseous CO2 was injected in different modes and the CO2 breakthrough was measured on specified ports in the system by using CO2 concentration sensors. A numerical model combining the gas flow in the porous medium and the free flow region was developed and used to model the experimental data. In this quest, the Discontinuous One-Domain approach was selected for modeling transport between the free flow and porous regions. The observed and simulated CO2 breakthrough curves both in the dried sand and in the free flow matched very well in the case of uniform injection and satisfactorily even in the case of point injection. Consequently, it seems that the model reasonably matches the observed data in the cases where the boundary condition is well defined. In summary, our results show that the developed experimental setup provides capability to study gaseous CO2 flow and transport in a coupled porous medium - free flow system and that our modeling approach is able to predict the flow and transport in this system with good accuracy.
|
|
| 4. |
- Basirat, Farzad, et al.
(författare)
-
Modeling Gas Transport in the Shallow Subsurface in Maguelone Field Experiment
- 2013
-
Ingår i: Energy Procedia. - : Elsevier BV. - 1876-6102. ; , s. 337-345
-
Tidskriftsartikel (refereegranskat)abstract
- In this paper, TOUGH2/EOS7CA model is used to simulate the shallow injection-monitoring experiment carried outat Maguelone, France, during 2012 and 2013. The ultimate objective of the work is to improve our understanding ofgas transport in the shallow subsurface as well as to develop and validate the model to monitor it. This workrepresents first results towards modelling the nitrogen and CO2 injection experiments carried out. The pressure datafrom the first injection experiments in summer 2012 is used as basis for comparison. Work is presently going on toincorporate the experimental data into the numerical simulation further.
|
|
| 5. |
- Basirat, Farzad, et al.
(författare)
-
Modeling gas transport in the shallow subsurface in the Maguelone field experiment
- 2013
-
Konferensbidrag (refereegranskat)abstract
- Developing reliable monitoring techniques to detect and characterize CO2 leakage in shallow subsurface is necessary for the safety of any GCS project. To test different monitoring techniques, shallow injection-monitoring experiment have and are being carried out at the Maguelone, along the Mediterranean lido of the Gulf of Lions, near Montpellier, France. This experimental site was developed in the context of EU FP7 project MUSTANG and is documented in Lofi et al. (2012). Gas injection experiments are being carried out and three techniques of pressure, electrical resistivity and seismic monitoring have been used to detect the nitrogen and CO2 release in the near surface environment. In the present work we use the multiphase and multicomponent TOUGH2/EOS7CA model to simulate the gaseous nitrogen and CO2 transport of the experiments carried out so far. The objective is both to gain understanding of the system performance based on the model analysis as well as to further develop and validate modelling approaches for gas transport in the shallow subsurface, against the well-controlled data sets. Numerical simulation can also be used for the prediction of experimental setup limitations. We expect the simulations to represent the breakthrough time for the different tested injection rates. Based on the hydrogeological formation data beneath the lido, we also expect the vertical heterogeneities in grain size distribution create an effective capillary barrier against upward gas transport in numerical simulations.
|
|
| 6. |
- Basirat, Farzad, et al.
(författare)
-
Numerical modelling of CO2 injection at small-scale field experimental site in Maguelone, France
- 2016
-
Ingår i: International Journal of Greenhouse Gas Control. - : Elsevier BV. - 1750-5836 .- 1878-0148. ; 54, s. 200-210
-
Tidskriftsartikel (refereegranskat)abstract
- 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.
|
|
| 7. |
|
|
| 8. |
- Basirat, Farzad, et al.
(författare)
-
Small scale laboratory design investigation of leakage of gaseous CO2 through heterogeneous subsurface system
- 2012
-
Konferensbidrag (refereegranskat)abstract
- The technology for geological sequestration of carbon dioxide has been developed to reduce the CO2 emissions into the atmosphere from the use of fossil fuels in power generation and other industries. One of the main concerns associated with the geological storage is the possible leakage of CO2 into the shallow aquifers, for which effective detection methods are needed. The processes related to the spreading and trapping of CO2 in the reservoir formation and in supercritical conditions have received major attention and form the basis of understanding of CO2 trapping processes. Some of the CO2 may, however, also leak to the upper layers of the rock and all the way to land surface through faults and imperfections in the seal. A proper understanding and capability to detect such leaks is essential for a safe performance of any storage operation. This, in turn, involves a proper understanding of the processes related to the transport of gaseous CO2 in the nearsurface conditions, a topic that has received considerably less attention. The objective of this study is to analyze the transport and migration of gaseous CO2 in heterogeneous porous media, in controlled laboratory conditions. CO2 may reach the unsaturated zone by different leak mechanisms which may subsequently affect how and where it can be detected by leakage monitoring program. These mechanisms include exsolution from CO2 supersaturated water and continuous bubbling or gas flow along a leakage path. Below the water table, gaseous CO2 can also be trapped under capillary barriers. However, as more CO2 is supplied by leakage from below the water table, the pressure may at some point exceed the entry pressure of the barrier leading to a leak event. Similarly, fluctuations in the water table may also produce leak events of temporarily trapped CO2. In the unsaturated zone, the CO2 is heavier than air and may accumulate below ground surface and move laterally. The presence of heterogeneity influences both the movement and detectability of the CO2. Our laboratory experiment is designed and implemented for measuring CO2 distribution in time and space through the heterogeneous porous material. The CO2 concentrations through the domain are measured by using sensitive gas sensors. To better understand the consequences of CO2 leakage and how it can be detected, this study presents a conceptual model together with the design and setup of an experimental system to understand the transport, trapping and detectability of gaseous CO2 in a heterogeneous shallow geological system.
|
|
| 9. |
|
|
| 10. |
|
|
