• Advances in environmental research
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• 제6권1호
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• pp.67-81
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• 2017

Mining activities play a significant role in environmental pollution by producing large amounts of tailings which comprise heavy metals. The impressive increase in mining activities in recent decades, due to their high influence on the industry of developing countries, duplicates the need for a substantial effort to develop and apply efficient measures of pollution control, mitigation, and abatement. In this study, our objective was to investigate the effect of simulation of the leachate, pH and inflow intensity of transport of $Pb^{2+}$, $Zn^{2+}$, and $Cd^{2+}$ through Lakan lead and zinc plant tailings, in Iran, and to evaluate the modeling efficiency by comparing the modeling results and the results obtained from previous column studies. We used the HP1 model and the PHREEQC database to simulate metals transport through a saturated soil column during a 15 day time period. The simulations assumed local equilibrium. As expected, a lower pH and inflow intensity increased metal transport. The retardation of heavy metals followed the order $Zn^{2+}$ > $Pb^{2+}$ > $Cd^{2+}$ and the removal concentrations of Cd, Pb, and Zn at the inflow intensity critical scenario, and Cd and Pb at inflow acidity critical scenario exceeded the allowable EPA and Iranian's 1053 standard thresholds. However, although the simulation results generally agreed well with the results of the column study, improvements are expected by using multi-dimensional models and a kinetic modeling approach for the reactions involved. The results of such investigations will be highly useful for designing preventative strategies to control reactive transport of hazardous metals and minimize their environmental effects.

• Nuclear Engineering and Technology
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• 제54권8호
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• pp.2828-2839
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• 2022

This study developed a safety assessment tool for geological disposal systems called APro, a systemically integrated modeling system based on modularizing and coupling the processes which need to be considered in a geological disposal system. Thermal, hydraulic, chemical, canister failure, radionuclide release and transport processes were considered in the current version of APro. Each of the unit processes in APro consists of a single Default Module, and several Alternative Modules which can increase the flexibility of the model. As an initial stage of developing the modularization concept and modeling interface, the Default Modules of each unit process were described, with one Alternative Module of chemical process. The computation part of APro is mainly a MATLAB workspace controlling COMSOL and PHREEQC, which are coupled by an operator splitting scheme. The APro model domain is a stylized geological disposal system employing the Swedish disposal concept (KBS-3 type), but the repository layout can be freely adjusted. In order to show the applicability of APro to the total system performance assessment of geological disposal system, some sample simulations were conducted. From the results, it was confirmed that coupling of the thermal and hydraulic processes and coupling of the canister failure and the radionuclide release processes were well reflected in APro. In addition, the technical connectivity between COMSOL and PHREEQC was also confirmed.

• 방사성폐기물학회지
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• 제17권2호
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• pp.227-234
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• 2019

국내 고준위 방사성폐기물 심층처분시스템에 대한 프로세스 기반의 종합성능평가체계(APro) 개발을 위하여 사용자 편의성이 향상된 모델링 인터페이스를 구축하였다. APro의 모델링 인터페이스는 프로그래밍 언어인 MATLAB을 이용하여 구축되었고, 다중물리현상 모사가 가능한 COMSOL과 지화학반응 계산이 가능한 PHREEQC를 계산 엔진으로 활용하여 연산자분리 방식을 적용하였다. APro는 모델링 영역을 기존의 정형화된 처분시스템으로 제한함으로써 모델의 자유도는 낮지만, 사용자 편의성을 향상시켰다. 처분시스템에서 고려되는 주요 현상들을 모듈화하였고, 이를 "Default process"와 다수의 "Alternative process"로 구분하여 사용자가 선택할 수 있도록 함으로써 모델의 유연성을 높였다. APro는 크게 입력자료 부분과 계산실행 부분으로 구성된다. 기본 입력자료는 하나의 EXCEL 파일에 일정한 포맷으로 정리되고, 계산실행 부분은 MATLAB을 이용하여 코딩되었다. 최종적인 전체 계산 결과는 독립적인 COMSOL 파일 형태로 생성되도록 하여 COMSOL을 이용한 계산 결과의 후처리가 가능하도록 하였다.

• 한국지하수토양환경학회지:지하수토양환경
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• 제20권3호
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• pp.65-73
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• 2015

The hydrofluoric acid (HF) leakage accident occurred on September 2012 in Gumi, Korea affected the surrounding soils and plants. In this study, we investigated fluoride migration in Gumi area through geochemical properties of soil-liquid phase (pore water F and water-soluble F). The concentrations of porewater F and water-soluble F were obtained from N.D (Not detected) to 9.79 mg/L and from 0.001 to 21.4 mg/L, respectively. F in pore water seemed to be affected by artificial and natural origin, and PHREEQC results implied that fluorite is F control factor. F concentrations of soil and soil-liquid phase did not exceed concern level of regulatory criteria and showed similar trends compared by previous studies. Therefore, F contents remained in the soil and soil-liquid phase were considered to be not affected by HF leakage accident.

• 한국지하수토양환경학회:학술대회논문집
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• 한국지하수토양환경학회 2002년도 추계학술발표회
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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.

• Nuclear Engineering and Technology
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• 제42권5호
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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 $Np(OH)_4(CO_3)^{2-}$.