• Title/Summary/Keyword: Reactive transport modeling

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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.

Determination of Site-specific Denitrification Rate for Nitrate Reactive Transport Modeling in Groundwater (지하수 내 질산성 질소 반응-이동 모델링을 위한 부지특이적 탈질화 계수 선정 방안에 대한 고찰)

  • Kim, Sang Hyun;Chung, Jaeshik;Lee, Seunghak
    • Journal of Soil and Groundwater Environment
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    • v.26 no.6
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    • pp.74-81
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    • 2021
  • A simple and efficient scheme is presented that attempts to implement the site-specific denitrification rate in the reactive transport modeling for the nitrate in groundwater. A series of correlation analyses were conducted using 133 datasets obtained from different nitrate-contaminated sites to find the empirical relationships between denitrification rates and various subsurface properties. Based on Pearson's correlation analysis, the soil organic carbon concentrations showed a statistically significant correlation (r = 0.75, p < 0.05) with the denitrification rates. A linear regression was performed, which could be utilized to effectively determine the site-specific denitrification rate based on the soil organic carbon concentration of a site. The proposed method is expected to effectively replace the conventional methods which either were too complicated for practical application or impose large uncertainties that might end up with unreliable results.

Conceptual Reactive Transport Modeling of Long-term Concrete Degradation and Uranium Solubility (반응성용질이동 모델링을 이용한 장기간의 콘크리트 변질과정과 우라늄의 용해도에 대한 개념 모델링)

  • Choi, Byoung-Young;Koh, Yong-Kwon;Kim, Geon-Young;Yoo, Si-Won;An, Sang-Won;Bae, Dae-Seok
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.6 no.1
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    • pp.35-44
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    • 2008
  • Long-term degradation of coment barrier by diffusion was studied with reactive transport modeling. The result of modeling showed that cement barrier was altered about 30cm thickness after 50,000 years. The pH decreased from 13.0 to 11.9 because of depletion of alkali ions, and dissolution/precipitation of portlandite and CSH (Calcium Silicate Hydrate). In addition, porosity increased about 0.3 because of dissolution of portlandite and $CSH2.0(Ca_2SiO_3(OH)_2:0.17H_2O)$. The solubility of uranium also increased with the increase of pe value The results of this study indicate that long-term degradation of comet can enhance the transport of nuclide by changing pH, pe, porosity in barrier.

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Evolution of reaction zones in reactive barriers consisting of calcite and glass beads

  • Jeong Gon, Kim;Gwang Man, Lee;Ik Hwan, Go
    • 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.

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Mathematical model for reactive transport of heavy metals in soil column: Based on PHREEQC and HP1 simulators

  • Tameh, Fatemeh Izadi;Asadollahfardi, Gholamreza;Darban, Ahmad Khodadadi
    • Advances in environmental research
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    • v.6 no.1
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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.

Numerical Modeling of an Inductively Coupled Plasma Based Remote Source for a Low Damage Etch Back System

  • Joo, Junghoon
    • Applied Science and Convergence Technology
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    • v.23 no.4
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    • pp.169-178
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    • 2014
  • Fluid model based numerical analysis is done to simulate a low damage etch back system for 20 nm scale semiconductor fabrication. Etch back should be done conformally with very high material selectivity. One possible mechanism is three steps: reactive radical generation, adsorption and thermal desorption. In this study, plasma generation and transport steps are analyzed by a commercial plasma modeling software package, CFD-ACE+. Ar + $CF_4$ ICP was used as a model and the effect of reactive gas inlet position was investigated in 2D and 3D. At 200~300 mTorr of gas pressure, separated gas inlet scheme is analyzed to work well and generated higher density of F and $F_2$ radicals in the lower chamber region while suppressing ions reach to the wafer by a double layer conducting barrier.

Modeling of Turbulent Molecular Mixing by the PDF Balance Method for Turbulent Reactive Flows (난류연소 유동장에서의 확률밀도함수 전달방정식을 이용한 난류혼합 모델링)

  • Moon, Hee-Jang
    • Journal of the Korean Society of Combustion
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    • v.2 no.1
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    • pp.39-51
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    • 1997
  • A review of probability density function(PDF) methodology and direct numerical simulation for the purpose of modeling turbulent combustion are presented in this study where particular attention is focused on the modeling problem of turbulent molecular mixing term appearing in PDF transport equation. Existing mixing models results were compared to those evaluated by direct numerical simulation in a turbulent premixed medium with finite rate chemistry in which the initial scalar field is composed of pockets of partially burnt gases to simulate autoignition. Two traditional mixing models, the least mean square estimations(LMSE) and Curl#s model are examined to see their prediction capability as well as their modeling approach. Test calculations report that the stochastically based Curl#s approach, though qualitatively demonstrates some unphysical behaviors, predicts scalar evolutions which are found to be in good agreement with statistical data of direct numerical simulation.

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Removal of Dissolved Iron in Groundwater by Injection-and-Pumping Technique: Application of Reactive Transport Modeling (주입-양수 기법을 활용한 지하수 내 용존 철 제거: 반응성용질이동모델링의 적용)

  • Choi, Byoung-Young;Yun, Seong-Taek;Kim, Kyoung-Ho;Koh, Yong-Kwon;Kim, Kang-Joo
    • Journal of Soil and Groundwater Environment
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    • v.12 no.6
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    • pp.29-37
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    • 2007
  • Shallow alluvial groundwaters in Korea of tell exceed the Korean Drinking Water Standard for dissolved iron (0.3 mg/L), which is one of the important water quality problems, especially in the use of bank infiltration technique. Using the reactive transport modeling, in this study we simulated the effectiveness of injection-and-pumping technique to remove dissolved iron in groundwater. The results of simulation showed that pumping of groundwater after injection of oxygenated water into aquifers is very effective to acquire the permissible water quality level. Groundwater withdrawal up to several times of irjected water in volume can be applicable to yield drinkable water. Potential problems such as clogging and permeability lowering due to in-situ precipitation of iron hydroxides may be insignificant. We also discuss on the mechanism and spatial extent of iron removal in aquifer.