• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.04a
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• pp.19-22
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• 2004

Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution/ precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between tile solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.21 no.4
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• pp.427-438
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• 2023

Thermodynamic sorption modeling can enhance confidence in assessing and demonstrating the radionuclide sorption phenomena onto various mineral adsorbents. In this work, Ca-montmorillonite was successfully purified from Bentonil-WRK bentonite by performing the sequential physical and chemical treatments, and its geochemical properties were characterized using X-ray diffraction, Brunauer-Emmett-Teller analysis, cesium-saturation method, and controlled continuous acid-base titration. Further, batch experiments were conducted to evaluate the adsorption properties of Cs(I) and Sr(II) onto the homoionic Ca-montmorillonite under ambient conditions, and the diffuse double layer model-based inverse analysis of sorption data was performed to establish the relevant surface reaction models and obtain corresponding thermodynamic constants. Two types of surface reactions were identified as responsible for the sorption of Cs(I) and Sr(II) onto Ca-montmorillonite: cation exchange at interlayer site and complexation with edge silanol functionality. The thermodynamic sorption modeling provides acceptable representations of the experimental data, and the species distributions calculated using the resulting reaction constants accounts for the predominance of cation exchange mechanism of Cs(I) and Sr(II) under the ambient aqueous conditions. The surface complexation of cationic fission products with silanol group slightly facilitates their sorption at pH > 8.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.17 no.2
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• pp.227-234
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• 2019

A user-friendly modeling interface is developed for a process-based total system performance assessment framework (APro) specialized for a generic geological disposal system for high-level radioactive waste. The APro modeling interface is constructed using MATLAB, and the operator splitting scheme is used to combine COMSOL for simulation of multiphysics and PHREEQC for the calculation of geochemical reactions. As APro limits the modeling domain to the generic disposal system, the degree of freedom of the model is low. In contrast, the user-friendliness of the model is improved. Thermal, hydraulic, mechanical and chemical processes considered in the disposal system are modularized, and users can select one of multiple modules: "Default process" and multi "Alternative process". APro mainly consists of an input data part and calculation execution part. The input data are prepared in a single EXCEL file with a given format, and the calculation part is coded using MATLAB. The final results of the calculation are created as an independent COMSOL file for further analysis.

• Journal of the Korean Recycled Construction Resources Institute
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• v.5 no.4
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• pp.488-495
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• 2017

In this study, we conducted the kinetic hydration modeling of OPC and the final product according to the substitution ratio of GGBS by using the geochemical code, GEMS, in order to calculate the thermodynamic equilibrium. The thermodynamic data was used by GEMS's 3rd party database, Cemdata18, and the cement hydration model, the Parrot & Killoh model was applied to simulate the hydration process. In OPC modeling, ion concentration of pore solution and hydration products by mass and volume were observed according to time. In the GGBS modeling, as the substitution rate increases, the amount of C-S-H, which contributes the long-term strength, increases, but the amount of Portlandite decreases, which leads to carbonation and steel corrosion. Therefore, it is necessary to establish prevention of some deterioration.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2002.09a
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• pp.287-290
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• 2002

To examine the denitrification process in an alluvial aquifer in the Cheonan site, hydrological and hydrogeochemical studies were carried out. Elevated levels of NO$_3$ (maximum 77.6 mg/L) were observed in shallow groundwaters of the area, as a result of poultry and agricultural activity. However, the nitrate concentrations were found to be consistently attenuated down to very low levels (<1.0 mg/L). The abrupt removal of nitrate coincided with the pattern of redox change and indicated that denitrification is the most plausible process. The hydrochemistry and mass balance approach using geochemical modeling (phreeqc 2.0) and redox chemistry indicated that chemo-autotrophic denitrification via pyrite oxidation is the key Process to control the nitrate attenuation in the study area.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.09a
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• pp.101-103
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• 2004

To investigate the evidence for the influence of sea water on Pohang geothermal groundwater, the chemical data for geothermal groundwaters from which are pumped during 48 hours and other hot groundwaters, another groundwater on the well for the purpose of agriculture, were considered. And to predict possible the secondary mineral which are easily to make the clogging, geochemical modeling was carried out using EQ3NR equilibrium solubility code. The results are that 1.4%～3.3%(bulk composition) of sea water were mixed with geothermal groundwater. From the well logging data, when the level of groundwater is drow down, the conductivity is increased in the geothermal groundwater, the existence of transition zone are recognized in the well. The predicted possible secondary minerals are Antigorite [Mg48Si24O85(OH)62], Chrysolite [Mg3Si2O5(OH)4] , Cristobalite, Dolomite, Talc, Tremolite. The recommended cooling temperature of best condition to minimize the production of secondary minerals is same as temperature of geothermal water pumped from the well.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2000.11a
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• pp.196-201
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• 2000

The influence of adsorption on cadmium toxicity to soil microorganisms in smectite-rich soils and sediments was quantified as a function of solution and sorbent characteristics. Adsorption and surface complexation experiments were conducted to infer Cd sorption mechanisms to a reference smectite and three fractions of a Veritsol soil, and to elucidate the effects of the surface complexation on Cd bioavailability and toxicity in soils and sediments. Cadmium adsorption isotherms conformed to the Langmuir adsorption model, with adsorptive capacities of the different samples dependent on their characteristics. Equilibrium geochemical modeling (MINTEQA2) was used to predict the speciation of Cd in the soil suspensions using Langmuir and Triple Layer surface complexation models. The influence of adsorption and surface complexation on cadmium toxicity to soil microorganisms was assessed indirectly through the relative change in microbial hydrolysis of fluorescein diacetate (FDA) as a function of total Cd concentration and sorbent characteristics. Adsorption decreased the toxicity of Cd to soil microorganisms. Inner-sphere complexation is more effective than outer-sphere complexation in reducing the bioavailability and toxicity of heavy metals in soils and sediments.

• Nuclear Engineering and Technology
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• v.22 no.1
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• pp.29-35
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• 1990

Uranium solubilities have been calculated for a range of conditions expected in a nuclear waste disposal repository. Variables taken into consideration include the pH and Eh range expected for deep groundeaters, the effect of the composition of groundwater. The model used in these calculations is based on the assumption of chemical equilibrium. Calculations show that the major variables influencing uranium solubility under the repository conditions are pH and Eh. The results of this study can be applied to an assessment of the nuclear waste disposal.

• Economic and Environmental Geology
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• v.41 no.6
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• pp.719-729
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• 2008

In this study, the speciation, adsorption, and transport of uranium in groundwater environments were simulated using geochemical models. The retarded transport of uranium by adsortption was effectively simulated using 3-D groundwater flow and reactive transport models. The results showed that most uranium was adsorbed(up to 99.5%) in a neutral pH(5.5$pCO_2(10^{-3.6}atm)$ condition. Under the higher $pCO_2(10^{-2.5}atm)$ condition, however, the pH range where most uranium was absorbed was narrow from 6 to 7. Under very low $pCO_2(10^{-4.5}atm)$ condition, uranium was mostly absorbed in the relatively wide pH range between 5.5 and 8.5. In the model including anion complexes, the uranium adsorption decreased by fluoride complex below the pH of 6. The results of this study showed that uranium transport is strongly affected by hydrochemical conditions such as pH, $pCO_2$, and the kinds and concentrations of anions($Cl^-$, ${SO_4}^{2-}$, $F^-$). Therefore, geochemical models should be used as an important tool to predict the environmental impacts of uranium and other hazardous compounds in many site investigations.

• Economic and Environmental Geology
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• v.34 no.5
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• pp.447-460
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• 2001

The geothermal waters from the Busan area belong to Na-CI type and are characterized by much higher EC (921 ~6,520${\mu}$S/cm) and TDS (608-3,390 mg/L) than other geothermal waters in Korea. The concentration of majorions shows a weakly positive relationship with temperature except for Mg ion. The concentrations of the major cat ions have the order of Na>Ca>K>Mg. Ca ion is enriched and Mg ion is depleted compared with seawater. All Br concentrations of geothermal water are lower than those of seawater, showing a positive relationship with temperature. Generally geochemical characteristics of geothermal waters of the Busan area indicate that these waters have relatively increased Ca and Sr contents and depleted Mg, Na and K contents caused by seawater interaction with wall rock at depth during deep circulation of seawater. Base on the relationship between major ions and temperature, saline geothermal waters are diluted and are cooled by mixing of groundwaters during ascent. Isotope study and reaction path modeling of the overall geochemical system are required in order to better quantify the evolution and origin of geothermal waters in the Busan area.