Literatura académica sobre el tema "THMC modeling"
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Artículos de revistas sobre el tema "THMC modeling"
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Kowalsky, Ursula, Sonja Bente y Dieter Dinkler. "Modeling of coupled THMC processes in porous media". Coupled systems mechanics 3, n.º 1 (25 de marzo de 2014): 27–52. http://dx.doi.org/10.12989/csm.2014.3.1.027.
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Birkholzer, Jens T., Liange Zheng y Jonny Rutqvist. "Can we safely go to 200 °C? An integrated approach to assessing impacts to the engineered barrier system in a high-temperature repository". Safety of Nuclear Waste Disposal 1 (10 de noviembre de 2021): 83–84. http://dx.doi.org/10.5194/sand-1-83-2021.
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Abstract. This presentation gives on overview of the complex thermo-hydro-mechanical-chemical (THMC) processes occurring during the disposal of heat-producing high-level radioactive waste in geologic repositories. A specific focus is on the role of compacted bentonite, which is commonly used as an engineered backfill material for emplacement tunnels because of its low permeability, high swelling pressure, and radionuclide retention capacity. Laboratory and field tests integrated with THMC modeling have provided an effective way to deepen our understanding of temperature-related perturbations in the engineered barrier system; however, most of this work has been conducted for maximum temperatures around 100 ∘C. In contrast, some international disposal programs have recently started investigations to understand whether local temperatures in the bentonite of up to 200 ∘C could be tolerated with no significant changes to safety relevant properties. Raising the maximum temperature is attractive for economical and safety reasons but faces the challenge of exposing the bentonite to significant temperature increases. Strong thermal gradients may induce complex moisture transport processes while geochemical processes, such as cementation and perhaps also illitization effects may occur, all of which could strongly affect the bentonite and near-field rock properties. Here, we present initial investigations of repository behavior exposed to strongly elevated temperatures. We will start discussing our current knowledge base for temperature effects in repositories exposed to a maximum temperature of 100 ∘C, based on data and related modeling analysis from a large heater experiment conducted for over 18 years in the Grimsel Test Site in Switzerland. We then show results from coupled THMC simulations of a nuclear waste repository in a clay formation exposed to a maximum temperature of 200 ∘C. We also explore preliminary data from a bench-scale laboratory mock-up experiment, which was designed to represent the strong THMC gradients occurring in a “hot” repository, and we finally touch on a full-scale field heater test to be conducted soon in the Grimsel Test Site underground research laboratory in Switzerland (referred to as HotBENT).
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Birkholzer, Jens T. y Alex Bond. "International collaboration in disposal research: comparative modeling of coupled processes in the DECOVALEX project". Safety of Nuclear Waste Disposal 1 (10 de noviembre de 2021): 231–32. http://dx.doi.org/10.5194/sand-1-231-2021.
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Abstract. This presentation gives an overview of an international research collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. The creation of the international DECOVALEX project, now running for more than 25 years, was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of state-of-the-art field and laboratory experiments, across a range of host rock options and repository designs. Participating research teams are from radioactive waste management organizations, national research institutes, regulatory agencies, universities, and consulting groups, providing a wide range of perspectives and solutions to these complex problems. The presentation provides examples of the research contributions made collectively in past DECOVALEX tasks and also touches on the unique modeling challenges tackled in the ongoing project phase, referred to as DECOVALEX-2023. The current phase comprises 17 partner organizations, about 50 modeling teams, and 7 modeling tasks, which cover a broad portfolio from fundamental studies on gas migration to full-scale in situ heater experiments in different host rocks to performance assessment studies. Together, these examples illustrate that the insight and scientific knowledge gained within the DECOVALEX project would not have been possible if one group had studied these complex THMC modeling challenges alone rather than within a truly collaborative setting.
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Yin, Shunde, Maurice B. Dusseault y Leo Rothenburg. "Coupled THMC modeling of CO2 injection by finite element methods". Journal of Petroleum Science and Engineering 80, n.º 1 (diciembre de 2011): 53–60. http://dx.doi.org/10.1016/j.petrol.2011.10.008.
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Xu, Haoran, Guihong Liu, Zhihong Zhao, Feng Ma, Guiling Wang y Yuedu Chen. "Coupled THMC modeling on chemical stimulation in fractured geothermal reservoirs". Geothermics 116 (enero de 2024): 102854. http://dx.doi.org/10.1016/j.geothermics.2023.102854.
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Zheng, Liange, Chun Chang, Sharon Borglin, Sangcheol Yoon, Chunwei Chou, Yuxin Wu y Jens T. Birkholzer. "Bentonite buffer under high temperature: laboratory experiments and coupled process modeling". Safety of Nuclear Waste Disposal 2 (6 de septiembre de 2023): 181–82. http://dx.doi.org/10.5194/sand-2-181-2023.
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Abstract. Bentonite buffer in a geological repository will be simultaneously heated from decaying radioactive waste and hydrated from the surrounding host rock, triggering complex and coupled THMC (thermal–hydrological–mechanical–chemical) processes. Understanding the THMC behavior of bentonite-based engineered barrier system (EBS) is key to the evaluation and prediction of its long-term performance. Studies on the THMC process have been focused on conditions under 100 ∘C, as most design concepts impose a thermal limit of 100 ∘C in bentonite. Recently, studies under high-temperature conditions have been conducted to evaluate the possibility of raising the thermal limit and expanding the data/knowledge base to increase the confidence level. In this abstract, we present a series of bench-scale laboratory experiments at high temperatures (up to 200 ∘C) and the corresponding modeling work. Two sets of column tests were conducted, and each set consisted of two test columns: a control column undergoing only hydration (non-heated) and an experiment column experiencing both heating and hydration (heated). During the experiment, frequent X-ray computed tomography (CT) images were collected to provide a 3D visualization of the density distribution and present the spatiotemporal evolution of (1) hydration/dehydration, (2) clay swelling/shrinkage, (3) displacement, and (4) mineral precipitation. The two sets of tests differ with respect to several experimental conditions, such as bentonite type, compacted density and water content, water chemistry, and hydration pressure, but the important difference is that the first set used bentonite powder with a dry density of 1.28 g cm−3, whereas the second set used granulated bentonite (mixture of pellets and powder) with a dry density of 1.45–1.5 g cm−3. In both sets of experiments, a comprehensive post-dismantling characterization of bentonite samples was carried out after the column tests had been running for 1.5 years. Comparing non-heated and heated columns, the temperature gradient led to lower degree of homogenization of bentonite after bentonite became fully saturated; comparing the first and second sets, granulated and powdered bentonite exhibited drastically different hydration behavior. A THM model with a 2D axisymmetric grid system was used to interpret the data from the first set of tests. The model considers the combined impact of saturation, fluid pressure, and porosity change due to swelling/compression on the spatiotemporal distribution of bulk density and movement of the thermocouple modules. Observations from the tests help us understand the early perturbation of bentonite buffer under high temperature, and data from these tests improve the calibration of key constitutive hydrological and mechanical models and, therefore, enhance the modeling capability with respect to calculating the long-term evolution of bentonite buffer.
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Tao, Jing, Yu Wu, Derek Elsworth, Pan Li y Yang Hao. "Coupled Thermo-Hydro-Mechanical-Chemical Modeling of Permeability Evolution in a CO2-Circulated Geothermal Reservoir". Geofluids 2019 (14 de mayo de 2019): 1–15. http://dx.doi.org/10.1155/2019/5210730.
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The meager availability of water as a heat transfer fluid is sometimes an impediment to enhanced geothermal system (EGS) development in semi-arid regions. One potential solution is in substituting CO2 as the working fluid in EGS. However, complex thermo-hydro-mechanical-chemical (THMC) interactions may result when CO2 is injected into the geothermal reservoir. We present a novel numerical model to describe the spatial THMC interactions and to better understand the process interactions that control the evolution of permeability and the heat transfer area. The permeability and porosity evolution accommodate changes driven by thermo-hydro-mechanical compaction/dilation and mineral precipitation/dissolution. Mechanical and hydraulic effects are demonstrated to exert a small and short-term influence on permeability change, while the thermal effects are manifest in the intermediate and short-term influence. The most significant and long-term influence on permeability change is by chemical effects, where decreases in fracture permeability may be of the order of 10-5 due to calcite precipitation in fracture throats, which causes the overall permeability to reduce to 70% of the initial permeability. The initial pressure and temperature of the injected CO2 exerts an overriding influence on permeability. In particular, an increased temperature reduces the mineral precipitation in the fracture and enhances mineral dissolution within the matrix and pore but results in mechanical closure of the fractures. Optimizing injection pressure and temperature may allow the minimization of precipitation and the maximization of heat recovery.
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Wu, Di, Tengfei Deng y Runkang Zhao. "A coupled THMC modeling application of cemented coal gangue-fly ash backfill". Construction and Building Materials 158 (enero de 2018): 326–36. http://dx.doi.org/10.1016/j.conbuildmat.2017.10.009.
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Yin, Shunde, Brian F. Towler, Maurice B. Dusseault y Leo Rothenburg. "Fully Coupled THMC Modeling of Wellbore Stability with Thermal and Solute Convection Considered". Transport in Porous Media 84, n.º 3 (11 de febrero de 2010): 773–98. http://dx.doi.org/10.1007/s11242-010-9540-9.
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Kim, Taehyun, Chan-Hee Park, Changsoo Lee y Jin-Seop Kim. "A numerical study on THM coupled behavior in the high-level radioactive waste disposal system". IOP Conference Series: Earth and Environmental Science 1124, n.º 1 (1 de enero de 2023): 012109. http://dx.doi.org/10.1088/1755-1315/1124/1/012109.
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Abstract It is essential to securely isolate high-level radioactive waste from the biosphere, and geologic disposal of it at a deep underground repository is considered the most effective method. Therefore, it is crucial to research the complex thermo-hydro-mechanical-chemical (THMC) coupled behavior in geological disposal systems parallel with numerical simulation. DECOVALEX is an international cooperating project to efficiently develop numerical methods and models and validate through test results for predicting the THMC interactions in the disposal systems. In Task C of DECOVALEX-2023, the modeling teams focus on understanding pore pressure development and THM interactions in the host rock and buffer material during the FE experiment, a 1:1 scale in-situ heater test based on Nagra’s Reference repository design. We used OGS-FLAC3D for the numerical simulation, combining OpenGeoSys for TH simulation and FLAC3D for M simulation. At the first phase of the task, a simple two-dimensional benchmark problem was defined to set up the numerical model. THM coupled processes in the bentonite were simulated with a two-phase flow system, and we investigated the temperature and pressure variations on the given monitoring position. Vaporization induced by a temperature increase in the bentonite was observed at the heater’s vicinity, and flow occurred by capillarity, and pressure difference was well simulated. Additionally, the flow process was dominant in the near field of engineering barrier, while we observed thermal pressurization in the far-field area. We plan to apply the developed model to a full-scale three-dimensional numerical simulation for the next phase.
Tesis sobre el tema "THMC modeling"
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Cui, Liang. "Multiphysics Modeling and Simulation of the Behavior of Cemented Tailings Backfill". Thesis, Université d'Ottawa / University of Ottawa, 2017. http://hdl.handle.net/10393/36145.
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One of the most novel technologies developed in the past few decades is to convert mine wastes into cemented construction materials, otherwise known as cemented tailings backfill (CTB). CTB is an engineered mixture of tailings (waste aggregates), water and hydraulic binders. It is extensively used worldwide to stabilize underground cavities created by mining operations and maximize the recovery of ore from pillars. Moreover, the application of CTB is also an environmentally friendly means of disposing potential acid generating tailings underground. During and after its placement into underground mine excavations or stopes, complex multiphysics processes (including thermal, T, hydraulic, H, mechanical, M, and chemical, C, processes) take place in the CTB mass and thus control its behavior and performance. With the interaction of the multiphysics processes, the field variables (temperature, pore water pressure, stress and strain) and geotechnical properties of CTB undergo substantial changes. Therefore, the prediction of the field performance of CTB structures during their life time, which has great practical importance, must incorporate these THMC processes. Moreover, the self-weight effect, water drainage through barricades, thermal expansion and chemical shrinkage can contribute to the volumetric deformation of CTB. Consequently, CTB exhibits unique consolidation behavior compared to conventional geomaterials (e.g., soil). Furthermore, the consolidation processes can result in relative displacement between the rock mass and CTB. The resultant rock mass/CTB interface resistance can reduce the effects of the overburden pressure or the vertical stress (i.e., arching effect). Hence, a full understanding, through multiphysics modeling and simulation of CTB behaviors, is crucial to reliably assess and predict the performance of CTB structures. Yet, there are currently no models or tools to predict the fully coupled multiphysics behavior of CTB. In this Ph.D. study, a series of mathematical models which include an evolutive elastoplastic model, a fully coupled THMC model, a multiphysics model of consolidation behavior and a multiphysics model of the interaction between the rock mass/CTB interface are developed and validated. There is excellent agreement between the modeled results and experimental and/or in-situ monitored data, which proves the accuracy and predictive ability of the developed models. Furthermore, the validated multiphysics models are applied to a series of engineering issues, which are relevant for the field design of CTB structures, to investigate the self-desiccation process, consolidation behavior of CTB structures as well as to assess the pressure on barricades and the strength development in CTB structures. The obtained results show that CTB has different behaviors and performances under different backfilling conditions and design strategies, and the developed multiphysics models can accurately model CTB field behavior. Therefore, the research conducted in this Ph.D. study provides useful tools and technical information for the optimal design of CTB structures.
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Coppee, Thibault. "Étude expérimentale et numérique de la durabilité du gypse dans les structures géotechniques : approche couplée hydro-mécanique et chimique". Electronic Thesis or Diss., Université Gustave Eiffel, 2023. http://www.theses.fr/2023UEFL2061.
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L'extension des activités anthropiques conduit au développement d'infrastructures dans des zones riches en gypse et soumises aux aléas mouvements de terrain et cavité. En effet le gypse, une roche de la famille des évaporites, est couramment rencontré et exploité par excavation ou creusement de galeries. Cette exploitation peut générer au fil du temps des phénomènes de remontée de fontis. De plus, les formations gypseuses peuvent également jouer un rôle de «planche à savon» dans le déclenchement de glissements de terrain et entrainer des pathologies sur les ouvrages géotechniques. Si le gypse est particulièrement étudié par les géochimistes au travers d'essai de cinétique de dissolution compte tenu de la grande solubilité de ce matériau (2,5 g/L à 20°C) et de sa variabilité en fonction des conditions physico-chimiques, les propriétés de perméabilité du gypse restent moins bien connues. Bien que cette roche à faible perméabilité dispose d'une structure poreuse permettant une circulation de fluide, elle est souvent considérée comme imperméable et faisant l'objet d'une simple dissolution par régression de sa surface de contact, sans formation de gradient d'altération. Ce travail de thèse vise à étudier l'écoulement d'un fluide (eau) dans un matériau gypseux ou à sa surface alors que le matériau se dissout. Cette étude comporte à la fois une approche expérimentale via une mesure de l'évolution des propriétés hydromécaniques et une approche numérique via une modélisation couplée thermo-hydro-mécanique et chimique (THMC). Dans un premier temps, six faciès de gypse plus ou moins hétérogènes dans leur composition minéralogique, ont été collectés et caractérisés sur le plan de la porosité et des propriétés mécaniques. Cette partie a permis de mettre en évidence la variabilité des propriétés en fonction d'un faciès donné. Par exemple, la porosité de l'ordre de 1 % pour la forme albastroïde peut varier jusqu'à 10% pour les faciès saccharoïdes.3 faciès ont été retenus ensuite pour subir une altération par percolation sur des périodes maximales de 2 mois. L'évolution de leur morphologie a été analysée et quantifiée en utilisant des méthodes de mesures porosimétriques et non destructives (vitesse du son, fréquence de résonance) en fonction des faciès et de leurs propriétés microstructurales. Les essais de percolation montrent en particulier la mise en place non systématique de chemin préférentiel de dissolution dans les gypses saccharoïdes Cette évolution est associée à plusieurs paramètres dont le diamètre d'accès au pore. Dans le cas des facies avec une fraction importante de phases minérales secondaires comme les argiles ou les carbonates (calcite), on observe le même processus de chemin préférentiel de manière plus précoce. Un essai d'érosion sur plaque de gypse a également été développé pour suivre la dégradation du matériau et pour rechercher des indices quant à l'initiation de ce phénomène. En parallèle des essais de dissolution sur poudre ont été réalisés pour mesurer les paramètres de cinétique de dissolution pour chaque faciès, en faisant varier les vitesses d'agitation des suspensions, la température et la granulométrie des poudres testées. Les mesures de sensibilité du gypse à l'écoulement et la dégradation montrent que le gypse saccharoïde est plus sensible que le gypse matriciel. L'ensemble des paramètres chimiques (taux de dissolution notamment à vitesse d'écoulement très faible) et mécaniques (porosité, diamètre de pore, module élastique…) obtenus expérimentalement respectivement sur les poudres et les éprouvettes percolées ont alimenté un modèle d'évolution des propriétés mécaniques et hydrauliques des matériaux gypseux en présence d'un processus de dissolution (couplage des effets). Le modèle a été implémenté dans le code de calculs aux éléments finis Disroc pour simuler l'évolution de la stabilité mécanique d'un ouvrage géotechnique soumis à un écoulement de fluide sous saturé, s'infiltrant dans une poche de gypseThe extension of anthropogenic activities leads to the development of infrastructure in areas rich in gypsum and subject to the hazards of land movements and cavities. Indeed, gypsum, a rock from the evaporite family, is commonly encountered and exploited by excavation or tunneling. This exploitation can generate over time phenomena of rising fontis. In addition, gypsum formations can also play a “soap board” role in triggering landslides and causing pathologies on geotechnical structures. If gypsum is particularly studied by geochemists through dissolution kinetics tests given the high solubility of this material (2.5 g/L at 20°C) and its variability depending on physicochemical conditions, the permeability properties of gypsum remain less well known. Although this low permeability rock has a porous structure allowing fluid circulation, it is often considered impermeable and subject to simple dissolution by regression of its contact surface, without formation of an alteration gradient. This thesis work aims to study the flow of a fluid (water) in a gypsum material or on its surface while the material dissolves. This study includes both an experimental approach via measuring the evolution of hydromechanical properties and a numerical approach via coupled thermo-hydro-mechanical and chemical modeling (THMC). Firstly, six gypsum facies, more or less heterogeneous in their mineralogical composition, were collected and characterized in terms of porosity and mechanical properties. This part made it possible to highlight the variability of properties depending on a given facies. For example, the porosity of around 1% for the albastroid form can vary up to 10% for the saccharoid facies.3 facies were then retained to undergo alteration by percolation over maximum periods of 2 months. The evolution of their morphology was analyzed and quantified using porosimetric and non-destructive measurement methods (speed of sound, resonance frequency) depending on the facies and their microstructural properties. Percolation tests show in particular the non-systematic establishment of preferential dissolution paths in saccharoid gypsums. This evolution is associated with several parameters including the diameter of access to the pore. In the case of facies with a significant fraction of secondary mineral phases such as clays or carbonates (calcite), we observe the same preferential path process earlier. An erosion test on gypsum board was also developed to monitor the degradation of the material and to look for clues as to the initiation of this phenomenon. In parallel, dissolution tests on powder were carried out to measure the dissolution kinetics parameters for each facies, by varying the stirring speeds of the suspensions, the temperature and the particle size of the powders tested. Measurements of gypsum sensitivity to flow and degradation show that saccharoid gypsum is more sensitive than matrix gypsum. All the chemical parameters (dissolution rate particularly at very low flow speed) and mechanical parameters (porosity, pore diameter, elastic modulus, etc.) obtained experimentally respectively on the powders and the percolated specimens fed into a model of evolution of the mechanical and hydraulic properties of gypsum materials in the presence of a dissolution process (coupling of effects). The model was implemented in the Disroc finite element calculation code to simulate the evolution of the mechanical stability of a geotechnical structure subjected to an undersaturated fluid flow, infiltrating into a gypsum pocket
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Tounsi, Hafssa. "Modélisation THMC de la congélation artificielle des terrains : Application à la mine de Cigar Lake". Electronic Thesis or Diss., Paris Sciences et Lettres (ComUE), 2019. http://www.theses.fr/2019PSLEM053.
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La congélation artificielle des terrains est utilisée depuis des décennies comme technique de stabilisation et d’imperméabilisation temporaires des terrains pour résoudre des problèmes de génie civil ou minier à moindres coûts. Réussir sa mise en oeuvre nécessite l’utilisation d’outils numériques permettant de prédire l’évolution des parties congelées et la stabilité des terrains. Cette thèse propose une approche de modélisation, élaborée suivant une démarche thermodynamiquement cohérente couplant la thermique, l’hydraulique, la mécanique et la salinité, permettant de simuler la congélation des terrains. Elle inclue un modèle de comportement élasto-viscoplastique, basé sur des essais de laboratoire, capable de prédire la réponse d’un sol congelé. Un nouveau dispositif pour la réalisation d’essais triaxiaux à température et à vitesse de déformation contrôlées a été mis en place à cet effet. Le modèle thermo-hydro-mécanique et chimique a été validé par des essais de gel sur des éprouvettes initialement saturées avec de l’eau pure ou avec une solution de chlorure de sodium à diverses concentrations. A l’échelle de la structure, il a été appliqué au cas de la mine de CigarLake (Canada), à travers des simulations thermo-hydro-mécaniques couplées, qui ont permis de prédire l’évolution de la congélation dans le terrain et d’évaluer son impact sur les déplacements autour des tunnels de production excavés en dessous du massif congeléArtifical ground freezing (AGF) has been used for decades as a temporary soil stabilisation and waterproofing technique inorder to solve civil or mining engineering problems at lower costs. A successful implementation of this technique requires the use of numerical tools to predict the freezing evolution and the site stability. Through a thermodynamically consistent framework, a fully coupled thermo-hydro-mechanical formalism, considering the salinity effect and capturing the most relevant phenomena of ground freezing, is derived. The formalism includes an elasto-viscoplastic constitutive model, able to correctly reproduce the mechanical behavior of frozen soil, and fitted against temperature and strain rate-controlled triaxial tests carried out using a newly-developed experimental facility. The proposed approach is validated by meansof freezing laboratory tests, carried out on specimens initially fully saturated with pure water or with sodium chloride solutions at various concentrations. At the field scale, the formalism is applied to the case of the Cigar Lake mine. Fully coupled thermo-hydro-mechanical simulations of the ground freezing and excavation activities taking place in the mine are performed, in order to predict the freezing evolution in the ground and its influence on the ground movements in the vicinity of production tunnels excavated below the frozen ground
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Cheng, Jing. "Occurrence and modeling of THMS and HAA formation in drinking water". Diss., Columbia, Mo. : University of Missouri-Columbia, 2007. http://hdl.handle.net/10355/5940.
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Thesis (Ph. D.)--University of Missouri-Columbia, 2007.The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file. Title from title screen of research.pdf file (viewed on March 6, 2008) Includes bibliographical references.
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Gang, Dianchen. "Modeling of THM and HAA formation in Missouri waters upon chlorination /". free to MU campus, to others for purchase, 2001. http://wwwlib.umi.com/cr/mo/fullcit?p3025619.
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Lima, Emmanuela Ferreira de. "Estudo da modelagem molecular do receptor canabinóide CB1 e suas interações com o ∆9 - THC". Universidade de São Paulo, 2009. http://www.teses.usp.br/teses/disponiveis/75/75131/tde-25082009-110446/.
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Marihuana (Cannabis sativa) é uma planta amplamente usada pelo ser humano há séculos e suas várias aplicações têm benefícios importantes. A planta Cannabis sativa tem sido usada pelo homem como comida, em práticas medicinais e rituais religiosos. Seus efeitos incluem analgesia, alteração na percepção, cognição, memória e atividade psicomotora. Os compostos canabinoides têm sido usados na quimioterapia do câncer e AIDS. No entanto, o uso da marijuana é um problema devido aos seus efeitos indesejados, nesse caso, a atividade psicotrópica apresentada pelos compostos canabinoides. Devido ao grande interesse nos efeitos causados pelos compostos extraídos da Cannabis, vários estudos têm sido realizados com o objetivo de melhor entender a relação entre a estrutura química e a atividade biológica de compostos canabinoides, bem como as suas interações com os receptores canabinoides, CB1 e CB2. Ambos são receptores de sete transmembranas (TM) que pertencem à família classe A, como a da rodopsina bovina, dos receptores acoplados à proteína-G (GPCRs). Esta Tese representa um estudo da modelagem molecular do receptor CB1 baseado na estrutura da rodopsina bovina já publicada, uma vez que a maioria dos efeitos terapêuticos dos canabinoides tem sido mostrado serem mediados pelo receptor canabinoide CB1. Esse trabalho fornece, também, uma investigação da interação ligante-receptor e um estudo da ativação do receptor CB1. Ao final, foi feito um estudo de docking a fim de entender as principais interações que ocorrem entre o ∆9 -THC, a principal molécula psicoativa presente na Cannabis, e seu receptor CB1.Marijuana (Cannabis sativa) is a widely used plant and its various applications have important benefits. The plant Cannabis sativa has been used by man for centuries for eating, medicinal practices and religious rituals. In human subjects, its effects include analgesia, alterations in perceptions, cognition, memory and psychomotor activity. The cannabinoid compounds have been used in the cancer chemotherapy and AIDS, but the use of marijuana is a problem due to its unwanted effects (the psychotropic activity presented by the cannabinoid compounds). Due to the great interest in the effects caused by the compounds extracted from the Cannabis, several studies have been carried out with the aim to better understand the relationship between the chemical structure and the biological activity of cannabinoid compounds, as well as their interaction with the cannabinoid receptors (CB1 and CB2). Both are seven-transmembrane (TM) receptors that belong to the rhodopsin-like family Class A of G protein coupled receptors (GPCRs). This work represents a study of molecular modeling of the CB1 receptor based upon the published bovine rhodopsin structure, once the most of the therapeutic effects of cannabinoids compounds have been shown to be mediated through the CB1 cannabinoid receptor. This work also provides an investigation of the CB1 receptor-ligand interaction and a study of the CB1 receptor activation. A docking study was also performed in order to understand the main interactions that occur between ∆9 -THC, the principal psychoactive molecule present in cannabis, and its receptor CB1.
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Nasir, Othman. "Coupled Thermo-Hydro-Mechanical-Chemical (THMC) Responses of Ontario’s Host Sedimentary Rocks for Nuclear Waste Repositories to Past and Future Glaciations and Deglaciations". Thèse, Université d'Ottawa / University of Ottawa, 2013. http://hdl.handle.net/10393/26234.
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Glaciation is considered one of the main natural processes that can have a significant impact on the long term performance of DGRs. The northern part of the American continent has been subjected to a series of strong glaciation and deglaciation events over the past million years. Glacial cycles cause loading and unloading, temperature changes and hydraulic head changes at the ground surface. These changes can be classified as transient boundary conditions. It is widely accepted that the periodic pattern of past glacial cycles during the Late Quaternary period are resultant of the Earth’s orbital geometry changes that is expected to continue in the future. Therefore, from the safety perspective of DGRs, such probable events need to be taken into account. The objective of this thesis is to develop a numerical model to investigate the thermo-hydro-mechanical-chemical (THMC) coupled processes that have resulted from long term past and future climate changes and glaciation cycles on a proposed DGR in sedimentary rocks in southern Ontario. The first application is done on a large geological cross section that includes the entire Michigan basin by using a hydro-mechanical (HM) coupled process. The results are compared with field data of anomalous pore water pressures from deep boreholes in sedimentary rocks of southern Ontario. In this work. The modeling results seem to support the hypothesis that at least the underpressures in the Ordovician formation could be partially attributed to past glaciation. The second application is made on site conditions by using the THMC model. The results for the pore water pressure, tracer profiles, permafrost depth and effective stress profile are compared with the available field data, the results show that the solute transport in the natural limestone and shale barrier formations is controlled by diffusion, which provide evidence that the main mechanism of transport at depth is diffusion-dominant. The third application is made on site conditions to determine the effect of underground changes in DGRs due to DGR construction. The results show that future glaciation loads will induce larger increases in effective stresses on the shaft. Furthermore, it is found that hypothetical nuclide transport in a failed shaft can be controlled by diffusion and advection. The simulation results show that the solute transported in a failed shaft can reach the shallow bedrock groundwater zone. These results might imply that a failed shaft will substantially lose its effectiveness as a barrier. The fourth application is proposed to investigate the geochemical evolution of sedimentary host rock in a near field scale. In this part, a new thermo-hydro-mechanical-geochemical simulator (COMSOL-PHREEQC) is developed. It is anticipated that there will be a geochemical reaction within the host rock that results from interaction with the water enriched with the CO2 generated by nuclear waste.
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Peterson, Kristian. "AN EXPLORATORY ANALYSIS OF TRIHALOMETHANE AND HALOACETIC ACID FORMATION POTENTIAL MODELING OF CEDAR LAKE". OpenSIUC, 2019. https://opensiuc.lib.siu.edu/theses/2560.
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An exploratory analysis of the trihalomethane (THM) and haloacetic acid (HAA) formation potential (FP) of Cedar Lake in order to produce formation potential curves for both THM and HAA; determine the THMFP and rate constant and compare to previous studies on Cedar Lake; and develop modeling for the formation potential loss of HAA from laboratory analysis of the raw lake water. While extensive modeling approaches have been explored for THM formation on different water sources, not many have been applied to the reservoir that supplies water to the Carbondale Water Treatment Plant and even fewer have explored the formation and modeling of HAA. Data for this study was obtained through laboratory experiment by applying bleach as a substitute for free chlorine to raw water samples obtained from Cedar Lake and quenching the samples at specific time steps to stop the reaction. Samples were then analyzed for THM content using standard method EPA 524.2R4.1 and HAA content using standard method EPA 552.2. The observed peak formation was 641.2701 µg/L for THM and 426.8 µg/L for HAA, but modeling fitted to the laboratory results indicated that a lower FP provided a better fitting of the data. A detailed analysis of the formed THM and HAA compounds indicated that a model produced for each compound resulted in more appropriate fitting by being able to account for the differing reaction rates and limiting factors of each reaction.
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Tourchi, Saeed. "THM analysis of argillaceous rocks with application to nuclear waste underground storage". Doctoral thesis, Universitat Politècnica de Catalunya, 2020. http://hdl.handle.net/10803/670899.
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Argillaceous rocks (Stiff sedimentary clays) provide the geological background to many civil engineering projects. In recent years, interest in these types of material has increased, because they are being considered as potential host geological media for underground repositories of high-level radioactive waste (HLW). The possible use of these types of clay as geological hosts for radioactive waste has prompted the construction of several underground laboratories. Among the very different topics addressed in the Underground Research Laboratories (URLs), the thermo-hydro-mechanical (THM) behaviour of the host rock is the one that most concerns the present research. In situ observations have revealed a considerable number of coupled THM processes in the operation of an HLW repository.
In this context, the main objective of the present study is to describes the performance, observations and interpretation of the full-scale in situ heating test conducted on Callovo-Oxfordian (COx) claystone in the Meuse / Haute-Marne URL simulating a heat-emitting, high-level radioactive waste disposal concept. The test is fully instrumented, and attention is focused on the near-field region's the THM behaviour consisting of the sleeve surrounding the heater and the host rock. The interpretation of the test is assisted by the performance of a coupled numerical analysis based on a coupled formulation incorporating the relevant THM phenomena. The calculations have used a reference isothermal constitutive model especially developed for this type of material. The reference model later has been extended to non-isothermal condition by incorporating thermal dependency of strength parameters and stiffness. The thermomechanical model has been successfully used in the simulation of triaxial tests on COx claystone. The numerical analysis performed has proved able to represent the progress of the experiment very satisfactorily. The performance and analysis of the in-situ test has significantly enhanced the understanding of a complex THM problem and have proved the capability of the numerical formulation and non-isothermal constitutive model to provide adequate predictive capacity.Las rocas argiláceas (arcillas sedimentarias rígidas) proporcionan el trasfondo geológico de muchos proyectos de ingeniería civil. En los últimos años, ha aumentado el interés por este tipo de materiales, porque están siendo considerados como posibles medios geológicos hospedadores de depósitos subterráneos de desechos radiactivos de alta actividad (HLW). El posible uso de este tipo de arcilla como hospedante geológico de residuos radiactivos ha impulsado la construcción de varios laboratorios subterráneos. Entre los muy diferentes temas que se abordan en los Laboratorios de Investigación Subterránea (URL), el comportamiento termo-hidromecánico (THM) de la roca huésped es el que más preocupa a la presente investigación. Las observaciones in situ han revelado un número considerable de procesos THM acoplados en el funcionamiento de un depósito de HLW. En este contexto, el objetivo principal del presente estudio es describir el rendimiento, las observaciones y la interpretación de la prueba de calentamiento in situ a gran escala realizada en piedra arcillosa Callovo-Oxfordian (COx) en la URL de Mosa / Haute-Marne simulando un calor- concepto de eliminación de desechos radiactivos de alto nivel emisor. La prueba está totalmente instrumentada y la atención se centra en el comportamiento del THM de la región de campo cercano que consiste en la manga que rodea el calentador y la roca anfitriona. La interpretación de la prueba es asistida por la realización de un análisis numérico acoplado basado en una formulación acoplada que incorpora los fenómenos de THM relevantes. Los cálculos han utilizado un modelo constitutivo isotérmico de referencia especialmente desarrollado para este tipo de material. Posteriormente, el modelo de referencia se ha ampliado a condiciones no isotérmicas incorporando la dependencia térmica de los parámetros de resistencia y rigidez. El modelo termomecánico se ha utilizado con éxito en la simulación de ensayos triaxiales en arcillas COx. El análisis numérico realizado ha demostrado ser capaz de representar de forma muy satisfactoria el avance del experimento. El rendimiento y el análisis de la prueba in situ ha mejorado significativamente la comprensión de un problema THM complejo y ha demostrado la capacidad de la
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Awasthi, Rakesh. "Application of modeling-based approaches to study the pharmacokinetics and pharmacodynamics of Delta-9-tetrahydrocannabinol (THC) and its active metabolite". Diss., University of Iowa, 2017. https://ir.uiowa.edu/etd/5410.
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The medical use of marijuana is increasing, yet little is known about the exposure-response relationships resulting in its psychoactive effects. Δ9-tetrahydrocannabinol (THC) and its active metabolite (11-hydroxy-THC; THC-OH) are the principal psychoactive components in marijuana. It is well known that the plasma concentrations of the psychoactive components of marijuana do not directly relate to the observed psychoactive effects. The presence of a counter-clockwise hysteresis in the plasma concentrations-effect plot demonstrates a temporal delay between the plasma concentrations and observed effect following the intravenous administration of THC. The overarching objective of this research was to better understand the relationship between the plasma and brain concentrations of the psychoactive components (THC and THC-OH) and the observable psychoactive effects after intravenous administration of THC, utilizing model-based approaches. Specifically, the pharmacokinetics were explored using population pharmacokinetic (Pop PK) and physiologically-based pharmacokinetic (PBPK) modeling whereas the pharmacodynamics (PD) of the psychoactive effect (“highness”) were explored using effect-compartment modeling and linking the PD to the PBPK-derived concentrations predicted in the brain and an assumed effect-site.
A “hypothetical” effect compartment model was developed to characterize the observed delay in peak “highness” ratings. A direct relationship was established between the reported psychoactive effects (“highness” or intoxication) and the predicted effect-site concentrations of both components (THC and THC-OH) using this effect-compartment modeling approach. The faster plasma to effect compartment equilibration for THC-OH indicated a more rapid equilibration of the active metabolite between plasma and the effect-site (biophase) than for the parent THC. In addition, a PBPK modeling approach was pursued to predict and relate the brain concentrations of THC and THC-OH to the psychoactive effect. The relationship between the effect and the predicted unbound brain concentration of THC indicated an indirect relationship, suggesting a temporal delay between brain concentrations of THC and observed effect. However, a direct relationship was observed between the observed effect and the unbound brain THC-OH concentrations. In addition, the unbound concentrations of THC-OH in the brain were predicted to be higher than the corresponding THC concentrations. These findings highlight the importance for the inclusion of THC-OH, in addition to THC, when relating the observed effect to the concentrations of the psychoactive components of marijuana.
These models contribute to the understanding of the PK-PD relationships associated with marijuana use and are important steps in the prediction of the pharmacodynamic effects related to the psychoactive components in marijuana and establish an approach for investigating other THC-related effects.
Libros sobre el tema "THMC modeling"
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Effler, Steven W. Origins, behavior, and modeling of THM precursors in lakes and reservoirs. Denver, Colo: Awwa Research Foundation, 2005.
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Watson, Montgomery. Mathematical modeling of the formation of THMs and HAAs in chlorinated natural waters, final report. Denver, CO: Water Industry Technical Action Fund, American Water Works Association, 1993.
Buscar texto completoCapítulos de libros sobre el tema "THMC modeling"
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Zhao, Zhihong. "Numerical Modeling on Coupled THMC Processes in Fractured Rocks". En Coupled Thermo-Hydro-Mechanical-Chemical Processes in Fractured Rocks, 95–117. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-6210-5_6.
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Rutqvist, J., A. Bäckström, M. Chijimatsu, X.-T. Feng, P.-Z. Pan, J. Hudson, L. Jing et al. "Assessment of Modeling Approaches for Analysis of Coupled THMC Processes in the EDZ of Geological Nuclear Waste Repositories". En Thermo-Hydromechanical and Chemical Coupling in Geomaterials and Applications, 687–96. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118623565.ch72.
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Reece, Gordon. "Further Applications of the THC Program". En Microcomputer Modelling by Finite Differences, 98–114. London: Macmillan Education UK, 1986. http://dx.doi.org/10.1007/978-1-349-09051-8_10.
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Reece, Gordon. "Elementary Applications of the THC Program". En Microcomputer Modelling by Finite Differences, 84–97. London: Macmillan Education UK, 1986. http://dx.doi.org/10.1007/978-1-349-09051-8_9.
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Reece, Gordon. "The THC (Transient Heat Conduction) Computer Program". En Microcomputer Modelling by Finite Differences, 68–83. London: Macmillan Education UK, 1986. http://dx.doi.org/10.1007/978-1-349-09051-8_8.
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Blaheta, R., P. Byczanski, R. Kohut y J. Starý. "Modeling THM Processes in Rocks with the Aid of Parallel Computing". En Thermo-Hydromechanical and Chemical Coupling in Geomaterials and Applications, 373–80. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118623565.ch37.
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Wang, Wenqing, Hua Shao y Olaf Kolditz. "Modeling of Non-Isothermal THM Coupled Processes In Multi-Phase Porous Media". En Thermo-Hydromechanical and Chemical Coupling in Geomaterials and Applications, 427–38. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118623565.ch43.
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Schlegel, Roger y Johannes Will. "Efficient Parameter Identification for THM Behaviour of Claystone Using Optimization Methods". En Advances in Laboratory Testing and Modelling of Soils and Shales (ATMSS), 463–70. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-52773-4_55.
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Mahato, Jaydev Kumar y S. K. Gupta. "Efficacy Evaluation of Conventional Water Treatment Process and THMs Modeling in Drinking Water of Five Cities in India". En Lecture Notes in Civil Engineering, 91–99. Singapore: Springer Singapore, 2020. http://dx.doi.org/10.1007/978-981-15-6887-9_10.
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Zhang, Cheng Yuan, Xiao Yan Liu y Quan Sheng Liu. "Coupled THM Processes Modeling and Stochastic Simulation Considering Spatial Variability of Hydraulic Conductivity in Underground Storage Caverns". En Experimental Mechanics in Nano and Biotechnology, 561–64. Stafa: Trans Tech Publications Ltd., 2006. http://dx.doi.org/10.4028/0-87849-415-4.561.
Texto completoActas de conferencias sobre el tema "THMC modeling"
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Huang, Y., Z. Lei, K. Lipnikov, J. D. Moulton, M. R. Sweeney, J. D. Hyman, E. Knight y P. H. Stauffer. "Modeling Coupled Thermo-Hydro-Mechanical-Chemical Processes in Subsurface Geological Media". En 57th U.S. Rock Mechanics/Geomechanics Symposium. ARMA, 2023. http://dx.doi.org/10.56952/arma-2023-0320.
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ABSTRACT The complex coupling interaction phenomena among rock mechanics, fluid flow, heat transfer and geochemical reactions has become a critical topic in complex subsurface systems including the production of unconventional oil and gas. In this paper, we introduce a fully coupled Thermo-Hydro-Mechanical-Chemical (THMC) framework that is being developed at Los Alamos National Laboratory (LANL). The framework integrates four LANL-developed codes: HOSS, Amanzi, dfnWorks and InyanCC. HOSS simulates deformation of the rock matrix as well as the opening, closing and shear sliding in the discrete fractures (mechanics), while Amanzi solves subsurface multiphase flow and reactive transport, dfnWorks generates meshes with complex discrete fracture networks, and InyanCC links the mechanics and flow solvers while controlling the whole simulation processes. The advantages of this coupling framework are: 1) it is based on hybrid continuum-discontinuum approaches which overcomes the limitations seen with pure continuum assumptions; 2) both mechanics and subsurface flow solvers are fully parallelized for distributed memory systems which allows the users to simulate large scale problems on HPC clusters. Different selected benchmarking problems are simulated using this THMC framework. The results show good agreement with the analytical solutions, which verifies the accuracy of the framework. INTRODUCTION Current applications of geotechnical engineering and geo-energy in the subsurface rely significantly on complex coupling process among rock mechanics, fluid flow, heat transfer and geochemical reactions, including geothermal production, unconventional oil and gas production and underground nuclear explosions. Hence, Modeling Thermo-Hydro-Mechanical-Chemical (THMC) processes is essential in understanding the coupled processes in subsurface geological media. Fully addressing the computational challenge of coupled THMC process simulation has been exacerbated by the inability to simulate coupled processes in both the rock matrix and discrete fractures. However, modern subsurface simulators taking advantage of the high-performance computation have been proposed to overcome these challenging problems. Cheng, 2016; Rutqvist et al., 2001; and Wang, 2000 proposed different approaches for modeling the evolution of pressure, stress, and temperature fields in porous media, including equations for pressure diffusion, mechanical equilibrium, and energy transport. Rutqvist and Stephansson (2003) introduced a coupled THM model based on sub-grid scale fracture networks. Min and Jing (2003) reported numerical simulations of hydro-mechanical coupling in fracture networks. These models capture the contribution of discrete fracture deformation to permeability anisotropy through the effective properties such as permeability and porosity. However, these methods have limitation in modeling time-evolving large scale THM system when the characteristic length of network structures is much larger than the grid block scale.
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Birkholzer, Jens, Liange Zheng y Jonny Rutqvist. "Thermally-Induced Alterations of Bentonite Backfilled Repositories: THMC Modeling and Testing". En Goldschmidt2020. Geochemical Society, 2020. http://dx.doi.org/10.46427/gold2020.195.
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Yoon, Sangcheol, Sharon Borglin, Chun Chang, Chunwei Chou, Liange Zheng y Yuxin Wu. "Evolution of Bentonite Under High Temperature Heating and Hydration: Bench-Scale Laboratory Experiments and Coupled Thermo-Hydro-Mechanical Modeling". En 56th U.S. Rock Mechanics/Geomechanics Symposium. ARMA, 2022. http://dx.doi.org/10.56952/arma-2022-2319.
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ABSTRACT: Bentonite buffer in the geological repository for high-level radioactive waste undergoes the heating from the waste package and hydration from the geological formation and goes through coupled thermo-hydro-mechanical-chemical (THMC) changes over the life span of a repository. For better understanding of such process under higher temperatures we report bench-scale laboratory experiments with heating up to 200°C and the corresponding THM model. The bench-scale laboratory experiments included two test columns, with the non-heated control column undergoing only hydration, and a heated column experiencing both heating in the center up to 200°C and hydration from a sand-clay boundary surrounding the column. During the experiment, we took frequent X-ray CT images to provide insight into the spatio-temporal evolution of THMC due to heating, hydration, bentonite swelling/compression. Based on the experiment setup, 2-D axisymmetric simulations were performed for the heated column and the mechanical changes were investigated in 3-D. The model first matched the temperature evolution with step-wise temperature boundary conditions at the heater and calibrated the thermal conductivity and specific heat of the materials. Then model interpreted the spatio-temporal distribution of bulk density by considering the combined effect of hydration, fluid pressure, and porosity change due to swelling/compression. 1 INTRODUCTION Engineered barrier system (EBS) with bentonite buffer has been proposed in the repository design for spent nuclear fuel and waste because of its low permeability, high swelling capacity and radionuclide retention, as well as thermal stability among other desired characteristics. After the emplacement of waste canisters and backfill materials, bentonite will be simultaneously heated from the decaying radioactive waste and hydrated from the surrounding host rock. These perturbations trigger coupled THMC (thermal-hydrological-mechanical-chemical) processes, involving (1) moisture transport controlled by multiphase flow and large thermal gradient near the heat source; (2) swelling and shrinkage due to bentonite hydration or de-hydration; (3) dilution/concentration, migration and exchange of ions impacted by moisture/thermal interactions, (4) dissolution/precipitation and mineral phase transformation, etc. (Zheng et al., 2010). While bentonite behavior for temperature <100°C has been well-documented based on laboratory and field experiments, data is very limited for high temperature (>100°C) conditions (Zheng et al., 2017). Itis important to understand the behavior of bentonite at high temperature for the disposal of high-level nuclear waste to expand the knowledge base regarding the perturbation of bentonite buffer and open the possibility of the designing repository with higher thermal limit. The performance assessment of repository requires prediction of the long-term THMC evolution of bentonite. The reliability of model prediction is hinged on reliable constitutive laws and parameterization to describe the THMC process at scale appropriate for model parameterization for large scale model. Models for the large scale in situ test, e.g. Zheng et al. (2020b), showed that parameters calibrated from modeling column tests can be used for large scale model. Currently, a high temperature experiment in a crystalline rock environment, called HotBENT, is being conducted under the leadership of NAGRA with several international partners (García-Siñeriz and Tuñón, 2020). This full-scale, high-temperature experiment will be conducted at the Grimsel Test Site. Such large-scale tests are extremely important for better understanding of the bentonite EBS system behavior under high temperature and conditions with strong thermal, hydraulic and density gradients. The main objective of the HotBENT experiment is to evaluate whether higher repository temperature would trigger mechanisms that compromise the barrier functions of the engineered system and the host rock. To complement the field scale HotBENT experiment, we had conducted a benchtop-scale laboratory experiment to obtain well-characterized datasets for understanding bentonite THMC processes under heating and hydration for model parameterization and benchmarking (Chang et al., 2021). In this paper, coupled THM models were developed to interpret the data collected from the column test, attempting to calibrate key constitutive relationships and parameters. In the following sections, we will first briefly describe the columns tests and then discuss the THM models
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Hosseinzadehsadati, Seyedbehzad, Frédéric Amour, Mohammad Reza Hajiabadi y Hamidreza M. Nick. "Challenges in Modeling Coupled Thermo-Hydro-Mechanical-Chemical Processes for CO2 Injection in a North Sea Hydrocarbon Chalk Reservoir". En SPE EuropEC - Europe Energy Conference featured at the 84th EAGE Annual Conference & Exhibition. SPE, 2023. http://dx.doi.org/10.2118/214449-ms.
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Abstract CO2 injection in depleted oil and gas reservoirs has become increasingly important as a means of mitigating greenhouse gas emissions. This study investigates coupled multiphysics simulations of CO2 injection in chalk reservoirs to better understand the complex thermo-hydro-mechanical-chemical (THMC) processes involved. Two compositional models are created: an isothermal model and a non-isothermal model. Since temperature impacts on fluid compositions have introduced errors in estimating the reservoir's compositions, we made certain simplifications on fluid compositions for the thermal model to address this issue. By using the simplified model, we simulate the temperature propagation of cold fluid into a hot reservoir to observe induced thermal stress due to temperature changes. Despite these simplifications for geomechanical modeling, the propagation of CO2 in the depleted gas reservoir was calculated without considering thermal effects, assuming that the density and viscosity of CO2 remained constant with temperature change in the coupled simulation. Our findings provide valuable insights into the THMC processes involved in CO2 injection in the depleted gas reservoir and highlight the importance of accurately modeling thermal effects to improve simulation accuracy.
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Peter, Geoffrey J. "Application of Coupled Thermo-Hydro-Mechanical-Chemical (THMC) Processes in Hydrothermal Systems to Processes Near a High-Level Nuclear Waste Repository". En ASME 2011 14th International Conference on Environmental Remediation and Radioactive Waste Management. ASMEDC, 2011. http://dx.doi.org/10.1115/icem2011-59246.
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Modeling of coupled processes in the geology near a high-level nuclear waste repository is similar to the modeling of coupled Thermo-Hydro-Mechanical-Chemical (THMC) processes that occur in magma-hydrothermal systems. Former Professor Denis Norton and his colleagues at the Geoscience Department at University of Arizona studied magma-hydrothermal systems extensively. These hydro-thermal codes were verified by obtaining excellent matches between calculated δ18O–values and measured δ18O–values in three principal rock units: basalt, gabbro, and gneiss. This paper reviews the concept of transport theory used in the formulation of the conservation principle used to model the hydrothermal systems. In addition, the paper reviews conservation of mass, momentum, energy, and chemical component equations as applied to the multicomponent-multiphase systems related to hydrothermal systems and obtains parallels to reaction rates and radionuclide transport in the geology of a high level nuclear water repository. Further, this paper compares published results obtained by other researchers modeling coupled THMC process in the geology of high-level nuclear waste repositories.
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Zheng, Liange, Hao Xu, Jonny Rutqvist y Jens T. Birkholzer. "UNDERSTANDING THE THMC EVOLUTION OF BENTONITE BARRIER — MODELING AN IN SITU TEST FOR BENTONITE BACKFILLED ENGINEERED BARRIER SYSTEM". En GSA Annual Meeting in Denver, Colorado, USA - 2016. Geological Society of America, 2016. http://dx.doi.org/10.1130/abs/2016am-284162.
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Frydrych, D. y M. Hokr. "Introduction of Object Oriented FEM Model Developed for Solving Thermal-Hydraulic Processes". En ASME/JSME 2011 8th Thermal Engineering Joint Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajtec2011-44318.
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Building of a model which could be used for optimization of design of nuclear waste storage, is one of biggest challenges in field of coupled processes modeling. Such a model have to take in consideration several fully-coupled processes. These processes are from field of Thermal, Hydro, Mechanical and Chemical science in short, they are described as THMC processes. Most of all, it is interaction of heat, generated by residual radiation in the waste, reacting with underground water and eventual chemical reaction in these water-solution. And all these actions being still a subject of eventual physical movements in the bedrock. In addition, model must take into consideration that values of a given process can change dramatically importance of this process characteristics for the safety of the storage. None of existing models is reaching the level of model complexity needed to address these issues. In this article is presented an object oriented model ISERIT. Model ISERIT is able to solve multidimensional task THH, where HH is for water, and water being present in 2 phases. The first phase is water vapor and the second phase is water absorbed by clay particles of the container buffer. In theoretical part of the article are defined governing equations. The governing equations are based on the conservation equations of heat and mass. The continuum equations are discretized in space by using the Galerkin finite element formulation. The time discretization is solved by implicit finite difference scheme. The main part of the article describes implementation of model ISERIT. Main structure of the model is defined with functionality of significant classes. The temperature, the water vapor concentration and the water concentration in solid phase are chosen as the three primary variables. The parameters, such as heat conductivity, heat capacity and water vapor diffusion coefficient, could be taken to be constants, or could be allowed to vary with temperature and water vapor concentration, without requiring fundamental modifications to the code. Article also describes how model can be enlarged to incorporate eventually other processes. This thanks to the fact, that model was build as object designed. At the end, article presents verification of the model against the experimental results, laboratory experiment BenchMark 1.3, as well as against full-scale experiment BenchMark 2.1.
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Vinardell Magre, Laura, Irene Jubany Güell y Ramon Pérez Magrané. "Disinfection by Products Estimation in a Water Distribution Network". En 2nd WDSA/CCWI Joint Conference. València: Editorial Universitat Politècnica de València, 2022. http://dx.doi.org/10.4995/wdsa-ccwi2022.2022.14734.
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Even though disinfection is necessary to ensure water safety for human consumption, some disinfectants produce disinfection by-products (DBPs) that may be dangerous for human health. Current European legislation obligates water distributors to limit some DBPs concentration to final consumers. Then, water companies must control these compounds and are obligated to periodically monitor their network. DBPs modeling can be very useful for estimating online DBPs concentration throughout the network, increasing DBPs control and knowledge, but avoiding DBPs analytics time and resources consumption [1]. Trihalomethanes (THM), the first DBPs discovered, have long been the most studied and modeled. Previous studies have mostly used linear relations between variables and THM concentration, but also computational modelling, mechanistic and data driven models [2, 3]. Even though, there are still challenges to beat: most studies use a small database and laboratory-scale for model building, forgetting the impact of network pipelines and season. In addition, significant variables for DBPs’ formation such as retention time are most of the time neglected due to its difficulty to measure. Finally, THMs are not the only DBPs generated from disinfection or even the most toxic: other DBPs must be studied, and their formation pathways along the network investigated. In this study, data from a full-scale distribution network was used: online sensors and sampling campaigns. To include hydraulic conditions as retention time, EPANET software and R programming are used to simulate the network. Different models, mechanistic and data driven, have been used to estimate the chlorine decay and DBP formation within the network. Results of the calibration and validation of these models and the conclusions obtained are presented.
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Vardon, Philip y Hywel Thomas. "Recent Developments in Modelling THCM Behaviour of Geoenvironmental Problems". En GeoShanghai International Conference 2010. Reston, VA: American Society of Civil Engineers, 2010. http://dx.doi.org/10.1061/41105(378)22.
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Mosley, K., L. Hartley, R. Turnbull, S. Libby, M. Cottrell, T. Bym, N. Josephson et al. "A Workflow for Generation of High Quality Meshes for Modelling Near-Field THMC Processes in Porous and Fractured Media". En 3rd International Discrete Fracture Network Engineering Conference. ARMA, 2022. http://dx.doi.org/10.56952/arma-dfne-22-0018.
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Abstract Numerical modelling of nuclear waste repositories frequently requires the representation of complex geological features and engineering in a computational mesh. Crystalline host rocks present particular challenges because simulation of THMC processes often necessitates the creation of both volumetric meshes (continuous porous media) and discrete fracture networks (fractured media), or hybrid meshes in which separate parts of the domain are represented as different media. Here, we present near-field THMC simulations enabled by new meshing workflows for generating unstructured CPM, DFN and hybrid meshes around an illustrative facility for spent nuclear fuel. We demonstrate how the LaGriT meshing toolkit, together with DFN meshing algorithms from the combination of FracMan and dfnWorks, can be applied to create a flexible set of medium representations. In the case study, the resulting meshes represent backfilled repository tunnels using surface-conforming 3D tetrahedral cells, whilst the fractured rock sections of the model are represented by either a DFN or CPM mesh depending on the physics to be simulated. Using the developed meshes, example THMC simulations are undertaken in PFLOTRAN and FracMan. The results demonstrate how the integrated workflow can be used to create high quality, realistic model inputs which result in improved convergence and accuracy in numerical simulations.
Informes sobre el tema "THMC modeling"
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Rutqvist, Jonny, Laura Blanco Martin, Sumit Mukhopadhyay, Jim Houseworth y Jens Birkholzer. Modeling Coupled THMC Processes and Brine Migration in Salt at High Temperatures. Office of Scientific and Technical Information (OSTI), agosto de 2014. http://dx.doi.org/10.2172/1150011.
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Elsworth, Derek, Ghazal Izadi, Quan Gan, Yi Fang, Josh Taron y Eric Sonnenthal. THMC Modeling of EGS Reservoirs -- Continuum through Discontinuum Representations. Capturing Reservoir Stimulation, Evolution and Induced Seismicity. Office of Scientific and Technical Information (OSTI), julio de 2015. http://dx.doi.org/10.2172/1202233.
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Liu, H., J. Houseworth, J. Rutqvist, L. Zheng, D. Asahina, L. Li, V. Vilarras et al. Report on THMC Modeling of the Near Field Evolution of a Generic Clay Repository: Model Validation and Demonstration. Office of Scientific and Technical Information (OSTI), julio de 2013. http://dx.doi.org/10.2172/1165202.
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Stauffer, Philip H., Amy B. Jordan, Dylan Robert Harp, George Anthony Zyvoloski, Hakim Boukhalfa, Florie Andre Caporuscio, Terry Ann Miller y Bruce Alan Robinson. Thermo-hydrological and chemical (THC) modeling to support Field Test Design. Office of Scientific and Technical Information (OSTI), septiembre de 2014. http://dx.doi.org/10.2172/1171663.
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Rutqvist, Jonny, Laura Blanco-Martin, Sergi Molins, David Trebotich y Jens Birkholzer. Modeling Coupled THM Processes and Brine Migration in Salt at High Temperatures. Office of Scientific and Technical Information (OSTI), septiembre de 2015. http://dx.doi.org/10.2172/1229559.
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