• Title/Summary/Keyword: geochemical modeling

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Geochemical Modeling on Water-caprock-gas Interactions within a CO2 Injected in the Yeongil Group, Pohang Basin, Korea (포항분지 영일층군 내 이산화탄소 주입에 의한 물-덮개암-가스 반응에 대한 지화학적 모델링)

  • Kim, Seon-ok;Wang, Sookyun;Lee, Minhee
    • Economic and Environmental Geology
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    • v.54 no.1
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    • pp.69-76
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    • 2021
  • This study is to identify the mineralogical properties of caprock samples from drilling cores of the Pohang basin, which is the research area for the demonstration-scale CO2 storage project in Korea. The interaction of water-rock-gas that can occur due to CO2 injection was identified using geochemical modeling. Results of mineralogical studies, together with petrographic data of caprock and data on the physicochemical parameters of pore water were used for geochemical modeling. Modelling was carried out using the The Geochemist's Workbench 14.0.1 geochemical simulator. Two steps of modeling enabled prediction of immediate changes in the caprocks impacted by the first stage of CO2 injection and the assessment of long-term effects of sequestration. Results of minerlaogical analysis showed that the caprock samples are mainly composed of quartz, K-feldspar, plagioclase and a small amount of pyrite, calcite, kaolinite and montmollonite. After the injection of carbon dioxide, the porosity of the caprock increased due to the dissolution of calcite, and dawsonite and chalcedony were precipitated as a result of the dissolution of albite and k-feldspar. In the second step after the injection was completed, the precipitation of dawsonite and chalcedony occurred as a result of dissolution of calcite and albite, and the pH was increased due to this reaction. Results of these studies are expected to be used as data to quantitatively evaluate the efficiency of mineral trapping capture in long-term storage of carbon dioxide.

Assessment of Natural Attenuation Processes in the Groundwater Contaminated with Trichloroethylene (TCE) Using Multi-Species Reactive Transport Modeling (다성분 반응 이동 모델링을 이용한 트리클로로에틸렌(TCE)으로 오염된 지하수에서의 자연저감 평가)

  • Jeen, Sung-Wook;Jun, Seong-Chun;Kim, Rak-Hyeon;Hwang, Hyoun-Tae
    • Journal of Soil and Groundwater Environment
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    • v.21 no.6
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    • pp.101-113
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    • 2016
  • To properly manage and remediate groundwater contaminated with chlorinated hydrocarbons such as trichloroethylene (TCE), it is necessary to assess natural attenuation processes of contaminants in the aquifer along with investigation of contamination history and aquifer characterization. This study evaluated natural attenuation processes of TCE at an industrial site in Korea by delineating hydrogeochemical characteristics along the flow path of contaminated groundwater, by calculating reaction rate constants for TCE and its degradation products, and by using geochemical and reactive transport modeling. The monitoring data showed that TCE tended to be transformed to cis-1,2-dichloroethene (cis-1,2-DCE) and further to vinyl chloride (VC) via microbial reductive dechlorination, although the degree was not too significant. According to our modeling results, the temporal and spatial distribution of the TCE plume suggested the dominant role of biodegradation in attenuation processes. This study can provide a useful method for assessing natural attenuation processes in the aquifer contaminated with chlorinated hydrocarbons and can be applied to other sites with similar hydrological, microbiological, and geochemical settings.

Conceptual Geochemical Modelling of Long-term Hyperalkaline Groundwater and Rock Interaction (지구화학 모델을 이용한 장기간의 강알칼리성 지하수-암석의 반응 개념 모델링)

  • Choi, Byoung-Young;Yoo, Si-Won;Chang, Kwang-Soo;Kim, Geon-Young;Koh, Yong-Kwon;Choi, Jong-Won
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.5 no.4
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    • pp.273-281
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    • 2007
  • Hyperalkaline groundwater formed by groundwater-cement components and its reaction with bedrock in a nuclear waste repository were simulated by geochemical modeling. The result of groundwater-cement components reaction showed that the pH of water was 13.3 and the precipitated minerals were Brucite, Katoite, Calcium Silicate Hydrate(CSH1.1), Ettringite, Hematite, and Portlandite. The result of interaction between such minerals and groundwater sampled in Gyeongju area also showed that the pH of groundwater reached 12.4. Interaction between such hyperalkaline groundwater and granite was simulated by kinetic model during $10^3$ years. This result showed that the final pH of groundwater reached 11.2 and the variation of pH was controlled by dissolution/precipitation of silicate and CSH minerals. Groundwater quality was also determined by dissolution/precipitation of silicate, CSH, oxide minerals. Our results show that geochemical modeling of long-term hyperalkaline groundwater and rock interaction can contribute to the safety assessment of engineered barrier by predicting geochemical condition in repository site.

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EFFECT OF CARBONATE ON THE SOLUBILITY OF NEPTUNIUM IN NATURAL GRANITIC GROUNDWATER

  • Kim, B.Y.;Oh, J.Y.;Baik, M.H.;Yun, J.I.
    • Nuclear Engineering and Technology
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    • v.42 no.5
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    • pp.552-561
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    • 2010
  • This study investigates the solubility of neptunium (Np) in the deep natural groundwater of the Korea Atomic Energy Research Institute Underground Research Tunnel (KURT). According to a Pourbaix diagram (pH-$E_h$ diagram) that was calculated using the geochemical modeling program PHREEQC 2.0, the redox potential and the carbonate ion concentration both control the solubility of neptunium. The carbonate effect becomes pronounced when the total carbonate concentration is higher than $1.5\;{\times}\;10^{-2}$ M at $E_h$ = -200 mV and the pH value is 10. Given the assumption that the solubility-limiting stable solid phase is $Np(OH)_4(am)$ under the reducing condition relevant to KURT, the soluble neptunium concentrations were in the range of $1\;{\times}\;10^{-9}$ M to $3\;{\times}\;10^{-9}$ M under natural groundwater conditions. However, the solubility of neptunium, which was calculated with the formation constants of neptunium complexes selected in an OECD-NEA TDB review, strongly deviates from the value measured in natural groundwater. Thus, it is highly recommended that a prediction of neptunium solubility is based on the formation constants of ternary Np(IV) hydroxo-carbonato complexes, even though the presence of those complexes is deficient in terms of the characterization of neptunium species. Based on a comparison of the measurements and calculations of geochemical modeling, the formation constants for the "upper limit" of the Np(IV) hydroxo-carbonato complexes, namely $Np(OH)_y(CO_3)_z^{4-y-2z}$, were appraised as follows: log $K^{\circ}_{122}\;=\;-3.0{\pm}0.5$ for $Np(OH)_2(CO_3)_2^{2-}$, log $K^{\circ}_{131}\;=\;-5.0{\pm}0.5$ for $Np(OH)_3(CO_3)^-$, and log $K^{\circ}_{141}\;=\;-6.0{\pm}0.5$ for $Np(OH)_4(CO_3)^{2-}$.

Geochemical Reactive Experimental and Modeling Studies on Caprock in the Pohang Basin (포항분지 덮개암에 대한 지화학적 반응 실험 및 모델링 연구)

  • Kim, Seon-ok;Wang, Sookyun;Lee, Minhee
    • Economic and Environmental Geology
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    • v.49 no.5
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    • pp.371-380
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    • 2016
  • This study aims to identify the mineraloical and petrographical characteristics of caprock from drilling cores of Pohang basin as a potential $CO_2$ storage site. Experiments and modeling were conducted in order to investigate the geochemical and mineralogical caprock effects of carbon dioxide. A series of autoclave experiments were conducted to simulate the interaction in the $scCO_2$-caprock-brine using a high pressure and temperature cell at $50^{\circ}C$ and 100 bar. Geochemical and mineralogical alterations after 15 days of $scCO_2$-caprock-brine sample reactions were quantitatively examined by XRD, XRF, ICP-OES investigation. Results of mineralogical studies, together with petrographic data of caprock and data on the physicochemical parameters of brine were used for geochemical modeling. Modelling was carried out using the The Geochemist's Workbench 11.0.4 geochemical simulator. Results from XRD analysis for caprock sample showed that major compositional minerals are quartz, plagioclase, and K-feldspar, and muscovite, pyrite, siderite, calcite, kaolinite and montnorillonite were included on a small scale. Results from ICP-OES analysis for brine showed that concentration of $Ca^{2+}$, $Na^+$, $K^+$ and $Mg^{2+}$ increased due to dissolution of plagioclase, K-feldspar and muscovite. Results of modeling for the period of 100 years showed that the recrystallization of kaolinite, dawsonite and beidellite, at the expense of plagioclase and K-feldspar is characteristic. Volumes of newly precipitation minerals and minerals passing into brine were balanced, so the porosity remained nearly unchanged. Experimental and modeling results indicate the interaction between caprock and $scCO_2$ during geologic carbon sequestration can exert significant impacts in brine pH and solubility/stability of minerals.

Evaluation of Americium Solubility in Synthesized Groundwater: Geochemical Modeling and Experimental Study at Over-Saturation Conditions

  • Hee-Kyung Kim;Hye-Ryun Cho
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.20 no.4
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    • pp.399-410
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    • 2022
  • The solubility and species distribution of radionuclides in groundwater are essential data for the safety assessment of deep underground spent nuclear fuel (SNF) disposal systems. Americium is a major radionuclide responsible for the long-term radiotoxicity of SNF. In this study, the solubility of americium compounds was evaluated in synthetic groundwater (SynDB3), simulating groundwater from the DB3 site of the KAERI Underground Research Tunnel. Geochemical modeling was performed using the ThermoChimie_11a thermochemical database. Concentration of dissolved Am(III) in Syn-DB3 in the pH range of 6.4-10.5 was experimentally measured under over-saturation conditions by liquid scintillation counting over 70 d. The absorption spectra recorded for the same period suggest that Am(III) colloidal particles formed initially followed by rapid precipitation within 2 d. In the pH range of 7.5-10.5, the concentration of dissolved Am(III) converged to approximately 2×10-7 M over 70 d, which is comparable to that of the amorphous AmCO3OH(am) according to the modeling results. As the samples were aged for 70 d, a slow equilibrium process occurred between the solid and solution phases. There was no indication of transformation of the amorphous phase into the crystalline phase during the observation period.

Formation of Acid Mine Drainage and Pollution of Geological Environment Accompanying the Sulfidation Zone of Nonmetallic Deposits: Reaction Path Modeling on the Formation of AMD of Tongnae Pyrophyllite Mine (비금속광상의 황화광염대에 수반되는 산성광산배수의 형성과 지질환경의 오염 : 동래납석광산 산성광산배수의 형성에 관한 반응경로 모델링)

  • 박맹언;성규열;고용전
    • Economic and Environmental Geology
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    • v.33 no.5
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    • pp.405-415
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    • 2000
  • This study was carried out to understand the formation of acid mine drainage (AMD) by pyrophyllite (so-called Napseok)-rainwater interaction (weathering), dispersion patterns of heavy metals, and patterns of mixing with non-polluted water in the Tongnae pyrophyllite mine. Based on the mass balance and reaction path modeling, using both the geochemistry of water and occurrence of the secondary minerals (weathering products), the geochemical evolution of AMD was simulated by computer code of SOLVEQ and CHILLER. It shows that the pH of stream water is from 6.2 to 7.3 upstream of the Tongnae mine. Close to the mine, the pH decreases to 2. Despite being diluted with non-polluted tributaries, the acidity of mine drainage water maintains as far as downstream. The results of modeling of water-rock interaction show that the activity of hydrogen ion increases (pH decreases), the goncentration of ${HCO_3}^-$ decreases associated with increasing $H^+$ activity, as the reaction is processing. The concentration of ${SO_4}^{2-}$first increases minutely, but later increases rapidly as pH drops below 4.3. The concentrations of cations and heavy metals are controlled by the dissolution of reactants and re-dissolution of derived species (weathering products) according to the pH. The continuous adding of reactive minerals, namely the progressively larger degrees of water-rock interaction, causes the formation of secondary minerals in the following sequence; goethite, then Mn-oxides, then boehmite, then kaolinite, then Ca-nontronite, then Mgnontronite, and finally chalcedony. The results of reaction path modeling agree well with the field data, and offer useful information on the geochemical evolution of AMD. The results of reaction path modeling on the formation of AMD offer useful information for the estimation and the appraisal of pollution caused by water-rock interaction as geological environments. And also, the ones can be used as data for the choice of appropriate remediation technique for AMD.

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