An Experimental Data Base For The Evaluation Of Theories For Upscaling In Modeling Of Groundwater Flow Solute Transport And Multiphase Fluid Flow In Aquifers
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An Experimental Data Base For The Evaluation Of Theories For Upscaling In Modeling Of Groundwater Flow Solute Transport And Multiphase Fluid Flow In Aquifers
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Author :
language : en
Publisher:
Release Date : 1998
An Experimental Data Base For The Evaluation Of Theories For Upscaling In Modeling Of Groundwater Flow Solute Transport And Multiphase Fluid Flow In Aquifers written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with categories.
OF THE MOST IMPORTANT RESULTS Our investigation focused on a few selected fundamental processes. The underlying groundwater flow and transport properties at a given contamination site are common to a wide range of chemical and chemical mixtures. Thus, issues related to up-scaling arise in modeling transport and transformation of any contaminant. Rather than focus on many contaminants, our study has focused on fundamental processes that can be investigated with a high degree of precision and control in our intermediate-scale experiments. The understanding of up-scaling issues gained from our study can be abstracted for application to a wider range of contaminants. Our study provides a valuable database for validation of up-scaling theories and understanding the complexities of entrapment of non-aqueous phase liquids (NAPLs) in heterogeneous media. The specific issues addressed in our investigation are: 1. Entrapment of NAPLs in heterogeneous formations, sensitivity of solute transport to entrapped NAPLs and prospects for detecting NAPL spills using tracer tests. 2. Solute transport in heterogeneous porous media, including the behavior under radial flow conditions. 3. Adsorption of dissolved chemicals in chemically heterogeneous aquifers.
Feflow
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Author : Hans-Jörg G. Diersch
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-22
Feflow written by Hans-Jörg G. Diersch and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-22 with Science categories.
FEFLOW is an acronym of Finite Element subsurface FLOW simulation system and solves the governing flow, mass and heat transport equations in porous and fractured media by a multidimensional finite element method for complex geometric and parametric situations including variable fluid density, variable saturation, free surface(s), multispecies reaction kinetics, non-isothermal flow and multidiffusive effects. FEFLOW comprises theoretical work, modeling experiences and simulation practice from a period of about 40 years. In this light, the main objective of the present book is to share this achieved level of modeling with all required details of the physical and numerical background with the reader. The book is intended to put advanced theoretical and numerical methods into the hands of modeling practitioners and scientists. It starts with a more general theory for all relevant flow and transport phenomena on the basis of the continuum approach, systematically develops the basic framework for important classes of problems (e.g., multiphase/multispecies non-isothermal flow and transport phenomena, discrete features, aquifer-averaged equations, geothermal processes), introduces finite-element techniques for solving the basic balance equations, in detail discusses advanced numerical algorithms for the resulting nonlinear and linear problems and completes with a number of benchmarks, applications and exercises to illustrate the different types of problems and ways to tackle them successfully (e.g., flow and seepage problems, unsaturated-saturated flow, advective-diffusion transport, saltwater intrusion, geothermal and thermohaline flow).
Toughreact User S Guide
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Author :
language : en
Publisher:
Release Date : 2004
Toughreact User S Guide written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with categories.
Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of mineral alteration in hydrothermal systems, waste disposal sites, acid mine drainage remediation, contaminant transport, and groundwater quality. A comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator, TOUGHREACT, has been developed. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The program can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. Linear adsorption and decay can be included. For the purpose of future extensions, surface complexation by double layer model is coded in the program. Xu and Pruess (1998) developed a first version of a non-isothermal reactive geochemical transport model, TOUGHREACT, by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). Xu, Pruess, and their colleagues have applied the program to a variety of problems such as: (1) supergene copper enrichment (Xu et al, 2001), (2) caprock mineral alteration in a hydrothermal system (Xu and Pruess, 2001a), and (3) mineral trapping for CO2 disposal in deep saline aquifers (Xu et al, 2003b and 2004a). For modeling the coupled thermal, hydrological, and chemical processes during heater tests at proposed nuclear waste disposal site at Yucca Mountain (Nevada), Sonnenthal and Spycher (2000) and Spycher et al. (2003) enhanced TOUGHREACT on (1) high temperature geochemistry, (2) mineral reactive surface area calculations, and (3) porosity and permeability changes due to mineral alteration. On the other hand, Pruess et al. (1999) updated the TOUGH2 simulator to TOUGH2 V2. The present version of TOUGHREACT was developed by introducing the work of Sonnenthal and Spycher (2000) to the original work of Xu and Pruess (1998), and by replacing TOUGH2 (Pruess, 1991) by TOUGH2 V2 (Pruess et al, 1999). The TOUGHREACT program makes use of ''self-documenting'' features. It is distributed with a number of input data files for sample problems. Besides providing benchmarks for proper code installation, these can serve as self-teaching tutorial in the use of TOUGHREACT, and they provide templates to help jump-start new applications. The fluid and heat flow part of TOUGHREACT is derived from TOUGH2 V2, so in addition to the current manual, users must have manual of the TOUGH2 V2 (Pruess et al., 1999). The present version of TOUGHREACT provides the following different TOUGH2 fluid property or ''EOS'' (equation-of-state) modules: (1) EOS1 for water, or two waters with typical applications to hydrothermal problems, (2) EOS2 for multiphase mixtures of water and CO2 also with typical applications to hydrothermal problems, (3) EOS3 for multiphase mixtures of water and air with typical applications to vadose zone and nuclear waste disposal problems, (4) EOS4 that has the same capabilities as EOS3 but with vapor pressure lowering effects due to capillary pressure, (5) EOS9 for single phase water (Richards. equation) with typical applications to ambient reactive geochemical transport problems, (6) ECO2 for multiphase mixtures of water, CO2 and NaCl with typical applications to CO2 disposal in deep brine aquifers.
Modeling Studies On The Transport Of Benzene And H2s In Co2 Water Systems
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Author :
language : en
Publisher:
Release Date : 2010
Modeling Studies On The Transport Of Benzene And H2s In Co2 Water Systems written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with categories.
In this study, reactive transport simulations were used to assess the mobilization and transport of organics with supercritical CO2 (SCC), and the co-injection and transport of H2S with SCC. These processes were evaluated at conditions of typical storage reservoirs, and for cases of hypothetical leakage from a reservoir to an overlying shallower fresh water aquifer. Modeling capabilities were developed to allow the simulation of multiphase flow and transport of H2O, CO2, H2S, as well as specific organic compounds (benzene), coupled with multicomponent geochemical reaction and transport. This included the development of a new simulator, TMVOC-REACT, starting from existing modules of the TOUGH2 family of codes. This work also included an extensive literature review, calculation, and testing of phase-partitioning properties for mixtures of the phases considered. The reactive transport simulations presented in this report are primarily intended to illustrate the capabilities of the new simulator. They are also intended to help evaluate and understand various processes at play, in a more qualitative than quantitative manner, and only for hypothetical scenarios. Therefore, model results are not intended as realistic assessments of groundwater quality changes for specific locations, and they certainly do not provide an exhaustive evaluation of all possible site conditions, especially given the large variability and uncertainty in hydrogeologic and geochemical parameter input into simulations. The first step in evaluating the potential mobilization and transport of organics was the identification of compounds likely to be present in deep storage formations, and likely to negatively impact freshwater aquifers if mobilized by SCC. On the basis of a literature review related to the occurrence of these organic compounds, their solubility in water and SCC, and their toxicity (as reflected by their maximum contaminant levels MCL), benzene was selected as a key compound for inclusion into numerical simulations. Note that considering additional organic compounds and/or mixtures of such compounds in the simulations was beyond the scope of this study, because of the effort required to research, calculate, and validate the phase-partitioning data necessary for simulations. The injection of CO2 into a deep saline aquifer was simulated, followed by modeling the leaching of benzene by SCC and transport of benzene to an overlying aquifer along a hypothetical leakage pathway. One- and two-dimensional models were set up for this purpose. The target storage formation was assumed to initially contain about 10−4 ppm benzene. Model results indicate that: (1) SCC efficiently extracts benzene from the storage formation. (2) Assuming equilibrium, the content of benzene in SCC is roportional to the concentration of benzene in the aqueous and solid phases. (3) Benzene may co-migrate with CO2 into overlying aquifers if a leakage pathway is present. Because the aqueous solubility of benzene in contact with CO2 is lower than the aqueous solubility of CO2, benzene is actually enriched in the CO2 phase as the plume advances. (4) For the case studied here, the resulting aqueous benzene concentration in the overlying aquifer is on the same order of magnitude as the initial concentration in the storage formation. This generic modeling study illustrates, in a semi-quantitative manner, the possible mobilization of benzene by SCC. The extent to which the mobilization of this organic compound evolves temporally and spatially depends on a large number of controlling parameters and is largely site specific. Therefore, for more 'truly' predictive work, further sensitivity studies should be conducted, and further modeling should be integrated with site-specific laboratory and/or field experimental data. The co-injection of H2S with CO2 into a deep saline aquifer was also simulated. In addition, the model considered leakage of the supercritical CO2+H2S mixture along a preferential pathway to an overlying fresh-water aquifer, followed by reaction of the CO2+H2S mixture with that aquifer. A simple 2-D model that included a storage formation and a sealing aquitard was developed to simulate the movement of H2S in a typical CO2 storage formation. Model results indicate that H2S is stripped off at the edge of the advancing supercritical plume, because of the H2S preferential solubility in water compared to CO2. The magnitude of H2S preferential dissolution, however, decreases with decreasing temperature and pressure. To capture this behavior and evaluate the breakthrough of H2S through a leakage pathway (from the deep storage formation to a shallower aquifer), another model was constructed, considering a storage formation, an overlying aquifer, and a vertical leakage pathway between them.
Geochemistry Groundwater And Pollution
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Author : C.A.J. Appelo
language : fr
Publisher: CRC Press
Release Date : 2004-06-24
Geochemistry Groundwater And Pollution written by C.A.J. Appelo and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004-06-24 with Science categories.
Building on the success of its 1993 predecessor, this second edition of Geochemistry, Groundwater and Pollution has been thoroughly re-written, updated and extended to provide a complete and authoritative account of modern hydrogeochemistry.Offering a quantitative approach to the study of groundwater quality and the interaction of water, minerals,
Coupled Modeling Of Non Isothermal Multiphase Flow Solutetransport And Reactive Chemistry In Porous And Fractured Media
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Author :
language : en
Publisher:
Release Date : 1998
Coupled Modeling Of Non Isothermal Multiphase Flow Solutetransport And Reactive Chemistry In Porous And Fractured Media written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998 with categories.
Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of acid mine drainage remediation, mineral deposition, waste disposal sites, hydrothermal convection, contaminant transport, and groundwater quality. Here they present a numerical simulation model, TOUGHREACT, which considers non-isothermal multi-component chemical transport in both liquid and gas phases. A wide range of subsurface thermo-physical-chemical processes is considered. The model can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions is considered, such as aqueous complexation, gas dissolution/exsolution, cation exchange, and surface complexation. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. The coupled model employs a sequential iteration approach with reasonable computing efficiency. The development of the governing equations and numerical approach is presented along with the discussion of the model implementation and capabilities. The model is verified for a wide range of subsurface physical and chemical processes. The model is well suited for flow and reactive transport in variably saturated porous and fractured media. In the second of this two-part paper, three applications covering a variety of problems are presented to illustrate the capabilities of the model.
Flowing Matter
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Author : Federico Toschi
language : en
Publisher: Springer Nature
Release Date : 2019-09-25
Flowing Matter written by Federico Toschi and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-25 with Science categories.
This open access book, published in the Soft and Biological Matter series, presents an introduction to selected research topics in the broad field of flowing matter, including the dynamics of fluids with a complex internal structure -from nematic fluids to soft glasses- as well as active matter and turbulent phenomena. Flowing matter is a subject at the crossroads between physics, mathematics, chemistry, engineering, biology and earth sciences, and relies on a multidisciplinary approach to describe the emergence of the macroscopic behaviours in a system from the coordinated dynamics of its microscopic constituents. Depending on the microscopic interactions, an assembly of molecules or of mesoscopic particles can flow like a simple Newtonian fluid, deform elastically like a solid or behave in a complex manner. When the internal constituents are active, as for biological entities, one generally observes complex large-scale collective motions. Phenomenology is further complicated by the invariable tendency of fluids to display chaos at the large scales or when stirred strongly enough. This volume presents several research topics that address these phenomena encompassing the traditional micro-, meso-, and macro-scales descriptions, and contributes to our understanding of the fundamentals of flowing matter. This book is the legacy of the COST Action MP1305 “Flowing Matter”.
Numerical Investigation Of Multiphase Darcy Forchheimer Flow And Contaminant Transport During So2 Co Injection With Co2 In Deep Saline Aquifers
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Author : Andi Zhang
language : en
Publisher:
Release Date : 2013
Numerical Investigation Of Multiphase Darcy Forchheimer Flow And Contaminant Transport During So2 Co Injection With Co2 In Deep Saline Aquifers written by Andi Zhang and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Aquifers categories.
Of all the strategies to reduce carbon emissions, carbon dioxide (CO2) geological sequestration is an immediately available option for removing large amounts of the gas from the atmosphere. However, our understanding of the transition behavior between Forchheimer and Darcy flow through porous media during CO2 injection is currently very limited. In addition, the kinetic mass transfer of SO2 and CO2 from CO2 stream to the saline and the fully coupling between the changes of porosity and permeability and multiphase flow are two significant dimensions to investigate the brine acidification and the induced porosity and permeability changes due to SO2 co-injection with CO2. Therefore, this dissertation develops a multiphase flow, contaminant transport and geochemical model which includes the kinetic mass transfer of SO2 into deep saline aquifers and obtains the critical Forchheimer number for both water and CO2 by using the experimental data in the literature. The critical Forchheimer numbers and the multiphase flow model are first applied to analyze the application problem involving the injection of CO2 into deep saline aquifers. The results show that the Forchheimer effect would result in higher displacement efficiency with a magnitude of more than 50% in the Forchheimer regime than that for Darcy flow, which could increase the storage capacity for the same injection rate and volume of a site. Another merit for the incorporation of Forchheimer effect is that more CO2 would be accumulated in the lower half of the domain and lower pressure would be imposed on the lower boundary of the cap-rock. However, as a price for the advantages mentioned above, the injection pressure required in Forchheimer flow would be higher than that for Darcy flow. The fluid flow and contaminant transport and geochemical model is then applied to analyze the brine acidification and induced porosity and permeability changes due to SO2 co-injection. The results show that the co-injection of SO2 with CO2 would lead to a substantially acid zone near the injecting well and it is important to include the kinetic dissolution of SO2 from the CO2 stream to the water phase into the simulation models, otherwise considerable errors would be introduced for the equilibrium assumption. This study provides a useful tool for future analysis and comprehension of multiphase Darcy-Forchheimer flow and brine acidification of CO2 injection into deep saline aquifers. Results from this dissertation have practical use for scientists and engineers concerned with the description of flow behavior, and transport and fate of SO2 during SO2 co-injection with CO2 in deep saline aquifers.
Toughreact User S Guide
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Author :
language : en
Publisher:
Release Date : 2008
Toughreact User S Guide written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with categories.
Coupled modeling of subsurface multiphase fluid and heat flow, solute transport, and chemical reactions can be applied to many geologic systems and environmental problems, including geothermal systems, diagenetic and weathering processes, subsurface waste disposal, acid mine drainage remediation, contaminant transport, and groundwater quality. TOUGHREACT has been developed as a comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator to investigate these and other problems. A number of subsurface thermo-physical-chemical processes are considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. TOUGHREACT can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The code can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can take place subject to either local equilibrium or kinetic controls, with coupling to changes in porosity and permeability and capillary pressure in unsaturated systems. Chemical components can also be treated by linear adsorption and radioactive decay. The first version of the non-isothermal reactive geochemical transport code TOUGHREACT was developed (Xu and Pruess, 1998) by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). TOUGHREACT was further enhanced with the addition of (1) treatment of mineral-water-gas reactive-transport under boiling conditions, (2) an improved HKF activity model for aqueous species, (3) gas species diffusion coefficients calculated as a function of pressure, temperature, and molecular properties, (4) mineral reactive surface area formulations for fractured and porous media, and (5) porosity, permeability, and capillary pressure changes owing to mineral precipitation/dissolution (Sonnenthal et al., 1998, 2000, 2001; Spycher et al., 2003a). Subsequently, TOUGH2 V2 was released with additional EOS modules and features (Pruess et al., 1999). The present version of TOUGHREACT includes all of the previous extensions to the original version, along with the replacement of the original TOUGH2 (Pruess, 1991) by TOUGH2 V2 (Pruess et al., 1999). TOUGHREACT has been applied to a wide variety of problems, some of which are included as examples, such as: (1) Supergene copper enrichment (Xu et al., 2001); (2) Mineral alteration in hydrothermal systems (Xu and Pruess, 2001a; Xu et al., 2004b; Dobson et al., 2004); (3) Mineral trapping for CO2 disposal in deep saline aquifers (Xu et al., 2003b and 2004a); (4) Coupled thermal, hydrological, and chemical processes in boiling unsaturated tuff for the proposed nuclear waste emplacement site at Yucca Mountain, Nevada (Sonnenthal et al., 1998, 2001; Sonnenthal and Spycher, 2000; Spycher et al., 2003a, b; Xu et al., 2001); (5) Modeling of mineral precipitation/dissolution in plug-flow and fracture-flow experiments under boiling conditions (Dobson et al., 2003); (6) Calcite precipitation in the vadose zone as a function of net infiltration (Xu et al., 2003); and (7) Stable isotope fractionation in unsaturated zone pore water and vapor (Singleton et al., 2004). The TOUGHREACT program makes use of 'self-documenting' features. It is distributed with a number of input data files for sample problems. Besides providing benchmarks for proper code installation, these can serve as a self-teaching tutorial in the use of TOUGHREACT, and they provide templates to help jump-start new applications. The fluid and heat flow part of TOUGHREACT is derived from TOUGH2 V2, so in addition to the current manual, users must have the manual of the TOUGH2 V2 (Pruess et al., 1999). The present version of TOUGHREACT provides the following TOUGH2 fluid property or 'EOS' (equation-of-state) modules: (1) EOS1 for water, or two waters with typical applications to hydrothermal problems, (2) EOS2 for multiphase mixtures of water and CO2 also with typical applications to hydrothermal problems, (3) EOS3 for multiphase mixtures of water and air with typical applications to vadose zone and nuclear waste disposal problems, (4) EOS4 that has the same capabilities as EOS3 but with vapor pressure lowering effects due to capillary pressure, (5) EOS9 for single phase water (Richards equation) with typical applications to ambient temperature and pressure reactive geochemical transport problems, and (6) ECO2N for multiphase mixtures of water, CO2 and NaCl with typical applications to CO2 disposal in deep brine aquifers.
Modeling The Fluid Flow Of Carbon Dioxide Through Permeable Media
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Author : Rouzbeh Ghanbarnezhad Moghanloo
language : en
Publisher:
Release Date : 2012
Modeling The Fluid Flow Of Carbon Dioxide Through Permeable Media written by Rouzbeh Ghanbarnezhad Moghanloo and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
This dissertation presents analytical solutions to address several unresolved issues on the modeling of CO2 flow in permeable media. Analytical solutions are important as numerical simulations do not yield explicit expressions in terms of the model parameters. In addition, simulations that provide the most comprehensive solutions to multiphase flow problems are computationally intensive. Accordingly, we address the following topics in this dissertation. The method of characteristics (MOC) solution of the overall mass conservation equation of CO2 in two-phase flow through permeable media is derived in the presence of compressibility. The formally developed MOC solutions rely on the incompressible fluid and rock assumptions that are rarely met in practice; hence, the incompressible assumption is relaxed and the first semi-analytic MOC solution for compressible flow is derived. The analytical solution is verified by simulation results. Fractional flow theory is applied to evaluate the CO2 storage capacity of one-dimensional (1D) saline aquifers. Lack of an accurate estimation of the CO2 storage capacity stands in the way of the fully implementation of CO2 storage in aquifers. The notion of optimal solvent-water-slug size is incorporated into the graphical solution of combined geochemical front propagation and fractional flow theory to determine the CO2 storage capacity of aquifers. The analytical solution is verified by simulation results. The limits of the Walsh and Lake (WL) method to predict the performance of CO2 injection is examined when miscibility is not achieved. The idea of an analogous first-contact miscible flood is implemented into the WL method to study miscibly-degraded simultaneous water and gas (SWAG) displacements. The simulation verifies the WL solutions. For the two-dimensional (2D) displacements, the predicted optimal SWAG ratio is accurate when the permeable medium is fairly homogeneous with a small cross-flow or heterogeneous with a large lateral correlation length (the same size or greater than the interwell spacing). We conclude that the WL solution is accurate when the mixing zone grows linearly with time. We examine decoupling of large and small-scale heterogeneity in multilayered reservoirs. In addition, using an analytical solution derived in this research, the fraction of layers in which the channeling occurs is determined as a function of the Koval factor and input dispersivity. We successfully present a simulation configuration to verify the off-diagonal elements of the numerical dispersion tensor. Numerical dispersion is inevitably introduced into the finite difference approximations of the 2D convection-dispersion equation. We show that the off-diagonal elements of the numerical dispersion tensor double when the flow velocity changes with distance. In addition, the simulation results reveal that the flow becomes more dispersive with distance travelled if there is convective cross-flow. In addition, local mixing increases with the convective cross-flow between layers. A numerical indicator is presented to describe the nature of CO2 miscible displacements in heterogeneous permeable media. Hence, the quantitative distinction between flow patterns becomes possible despite the traditionally qualitative approach. The correlation coefficient function is adopted to assign numerical values to flow patterns. The simulation results confirm the accuracy of the descriptive flow pattern values. The order-of-one scaling analysis procedure is implemented to provide a unique set of dimensionless scaling groups of 2D SWAG displacements. The order-of-one scaling analysis is a strong mathematical approach to determine approximations that are allowed for a particular transport phenomenon. For the first time, we implement the scaling analysis of miscible displacements while considering effects of water salinity, dissolution of CO2 in the aqueous phase, and complex configurations of injection and production wells.