TOUGHREACT User's Guide

TOUGHREACT User's Guide
Author:
Publisher:
Total Pages:
Release: 2008
Genre:
ISBN:

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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.

Reactive Transport Modeling

Reactive Transport Modeling
Author: Yitian Xiao
Publisher: John Wiley & Sons
Total Pages: 689
Release: 2018-03-14
Genre: Science
ISBN: 1119060028

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Teaches the application of Reactive Transport Modeling (RTM) for subsurface systems in order to expedite the understanding of the behavior of complex geological systems This book lays out the basic principles and approaches of Reactive Transport Modeling (RTM) for surface and subsurface environments, presenting specific workflows and applications. The techniques discussed are being increasingly commonly used in a wide range of research fields, and the information provided covers fundamental theory, practical issues in running reactive transport models, and how to apply techniques in specific areas. The need for RTM in engineered facilities, such as nuclear waste repositories or CO2 storage sites, is ever increasing, because the prediction of the future evolution of these systems has become a legal obligation. With increasing recognition of the power of these approaches, and their widening adoption, comes responsibility to ensure appropriate application of available tools. This book aims to provide the requisite understanding of key aspects of RTM, and in doing so help identify and thus avoid potential pitfalls. Reactive Transport Modeling covers: the application of RTM for CO2 sequestration and geothermal energy development; reservoir quality prediction; modeling diagenesis; modeling geochemical processes in oil & gas production; modeling gas hydrate production; reactive transport in fractured and porous media; reactive transport studies for nuclear waste disposal; reactive flow modeling in hydrothermal systems; and modeling biogeochemical processes. Key features include: A comprehensive reference for scientists and practitioners entering the area of reactive transport modeling (RTM) Presented by internationally known experts in the field Covers fundamental theory, practical issues in running reactive transport models, and hands-on examples for applying techniques in specific areas Teaches readers to appreciate the power of RTM and to stimulate usage and application Reactive Transport Modeling is written for graduate students and researchers in academia, government laboratories, and industry who are interested in applying reactive transport modeling to the topic of their research. The book will also appeal to geochemists, hydrogeologists, geophysicists, earth scientists, environmental engineers, and environmental chemists.

TOUGHREACT User's Guide

TOUGHREACT User's Guide
Author:
Publisher:
Total Pages: 203
Release: 2004
Genre:
ISBN:

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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.

Multilevel Modeling of Secure Systems in QoP-ML

Multilevel Modeling of Secure Systems in QoP-ML
Author: Bogdan Księżopolski
Publisher: CRC Press
Total Pages: 734
Release: 2015-07-02
Genre: Computers
ISBN: 1138000604

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Introducing the Quality of Protection Modeling Language (QoP-ML), this book provides for the abstraction of security systems while maintaining emphasis on the details of quality protection . It delineates the steps used in cryptographic protocol and introduces a multilevel protocol analysis that expands current understanding. Every operation defined by QoP-ML is described within parameters of security metrics, therefore evaluating the impact of the operation on the entire system's security.

Science of Carbon Storage in Deep Saline Formations

Science of Carbon Storage in Deep Saline Formations
Author: Pania Newell
Publisher: Elsevier
Total Pages: 447
Release: 2018-09-06
Genre: Science
ISBN: 0128127538

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Science of Carbon Storage in Deep Saline Formations: Process Coupling across Time and Spatial Scales summarizes state-of-the-art research, emphasizing how the coupling of physical and chemical processes as subsurface systems re-equilibrate during and after the injection of CO2. In addition, it addresses, in an easy-to-follow way, the lack of knowledge in understanding the coupled processes related to fluid flow, geomechanics and geochemistry over time and spatial scales. The book uniquely highlights process coupling and process interplay across time and spatial scales that are relevant to geological carbon storage. Includes the underlying scientific research, as well as the risks associated with geological carbon storage Covers the topic of geological carbon storage from various disciplines, addressing the multi-scale and multi-physics aspects of geological carbon storage Organized by discipline for ease of navigation

Modelling Water Flow in Unsaturated Porous Media

Modelling Water Flow in Unsaturated Porous Media
Author: Adam Szymkiewicz
Publisher: Springer Science & Business Media
Total Pages: 254
Release: 2012-10-11
Genre: Science
ISBN: 364223559X

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The book focuses on two issues related to mathematical and numerical modelling of flow in unsaturated porous media. In the first part numerical solution of the governing equations is discussed, with particular emphasis on the spatial discretization of highly nonlinear permeability coefficient. The second part deals with large scale flow in heterogeneous porous media of binary structure. Upscaled models are developed and it is shown that the presence of material heterogeneities may give rise to additional non-equilibrium terms in the governing equations or to hysteresis in the averaged constitutive relationships.

Reservoir Quality of Clastic and Carbonate Rocks

Reservoir Quality of Clastic and Carbonate Rocks
Author: P.J. Armitage
Publisher: Geological Society of London
Total Pages: 453
Release: 2018-06-18
Genre: Science
ISBN: 1786201399

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Reservoir quality is studied using a wide range of similar techniques in both sandstones and carbonates. Sandstone and carbonate reservoir quality both benefit from the study of modern analogues and experiments, but modelling approaches are currently quite different for these two types of reservoirs. There are many common controls on sandstone and carbonate reservoir quality, but also distinct differences due primarily to mineralogy. Numerous controversies remain including the question of oil inhibition, the key control on pressure solution and geochemical flux of material to or from reservoirs. This collection of papers contains case-study-based examples of sandstone and carbonate reservoir quality prediction as well as modern analogue, outcrop analogue, modelling and advanced analytical approaches.

Chemical Grouting And Soil Stabilization, Revised And Expanded

Chemical Grouting And Soil Stabilization, Revised And Expanded
Author: Reuben H. Karol
Publisher: CRC Press
Total Pages: 505
Release: 2003-04-18
Genre: Technology & Engineering
ISBN: 0824748522

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Following shifting trends from remedial to preventive uses of grouting practices, this third edition covers all aspects of chemical grouting methods and applications. This reference highlights new ground improvement techniques as well as recent innovations in soil modification and stabilization procedures. It considers commercial alternatives to ground improvement, their relative advantages and disadvantages, and the engineering applications to which these methods are suited. Revised and expanded, this new edition assesses the role of new grouting techniques in the containment of hazardous waste and introduces numerous problems to illustrate concepts and facilitate instruction.

Discontinuous Galerkin Methods

Discontinuous Galerkin Methods
Author: Bernardo Cockburn
Publisher: Springer Science & Business Media
Total Pages: 468
Release: 2012-12-06
Genre: Mathematics
ISBN: 3642597211

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A class of finite element methods, the Discontinuous Galerkin Methods (DGM), has been under rapid development recently and has found its use very quickly in such diverse applications as aeroacoustics, semi-conductor device simula tion, turbomachinery, turbulent flows, materials processing, MHD and plasma simulations, and image processing. While there has been a lot of interest from mathematicians, physicists and engineers in DGM, only scattered information is available and there has been no prior effort in organizing and publishing the existing volume of knowledge on this subject. In May 24-26, 1999 we organized in Newport (Rhode Island, USA), the first international symposium on DGM with equal emphasis on the theory, numerical implementation, and applications. Eighteen invited speakers, lead ers in the field, and thirty-two contributors presented various aspects and addressed open issues on DGM. In this volume we include forty-nine papers presented in the Symposium as well as a survey paper written by the organiz ers. All papers were peer-reviewed. A summary of these papers is included in the survey paper, which also provides a historical perspective of the evolution of DGM and its relation to other numerical methods. We hope this volume will become a major reference in this topic. It is intended for students and researchers who work in theory and application of numerical solution of convection dominated partial differential equations. The papers were written with the assumption that the reader has some knowledge of classical finite elements and finite volume methods.