Modelování geochemických interakcí vody s horninovým prostředím
Title Alternative:Modelling of the geochemical interactions of water with the rock enviroment
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Date
2007
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Publisher
Technická Univerzita v Liberci
Abstract
Cílem této práce je tvorba, testování a následná kalibrace simulačního modelu popisujícího průtok roztoku horninovým prostředím. Pro docílení simulace transportu souběžně se simulací chemických reakcí byl navržen model spojením dvou jiných modelů - modelu advekčního transportu gen-tran a chemického modelu semchem používaných na NTI FM TUL. Z upraveného zadání chemického modelu, poskytnutého doc. Pačesem, byla navržena vstupní data do chemické části modelu. Pro potřeby simulace transportu byla vytvořena síť konečných objemů a navrženy parametry transportu s přihlédnutím k minimalizaci numerické difúze. Pro potřeby testování modelu byl model rozšířen o různé vlivy fugacity CO2. Pro možnost srovnání výsledků byla také provedena simulace modelem semchem. Po analýze výsledků obou simulačních modelů byla navržena rozšíření modelu umožňující přesnější popis reality.
The goal of this thesis is to create, test, and calibrate a simulation model that describes flow through the rock environment. To make a simulation model, that simulates the transport and chemical reactions simultaneously, two other models were joined - the model of solute transport called gen-tran and the chemical model called semchem. Both models are used on NTI FM TUL. Then there were proposed the input data for the chemical model. They were obtained from the setting of chemical model. To create a simulation of transport there was made a mesh of finite volumes. The mesh parameters were optimized to minimize numerical diffusion. To test this model it was extended by various influences of fugacity of carbon dioxide. To make a confrontation between results there was made a semchem-simulation. After the analysis of results of both models there were proposed the extensions of model that would make the model more accurate.
The goal of this thesis is to create, test, and calibrate a simulation model that describes flow through the rock environment. To make a simulation model, that simulates the transport and chemical reactions simultaneously, two other models were joined - the model of solute transport called gen-tran and the chemical model called semchem. Both models are used on NTI FM TUL. Then there were proposed the input data for the chemical model. They were obtained from the setting of chemical model. To create a simulation of transport there was made a mesh of finite volumes. The mesh parameters were optimized to minimize numerical diffusion. To test this model it was extended by various influences of fugacity of carbon dioxide. To make a confrontation between results there was made a semchem-simulation. After the analysis of results of both models there were proposed the extensions of model that would make the model more accurate.
Description
katedra: KMO; přílohy: 1 CD; rozsah: 49 s.
Subject(s)
chemický model, transportní model, simulace, fugacita, molarita, chemical model, model of transport, simulation, fugacity, molarity