• 제목/요약/키워드: Reactive transport modeling

검색결과 19건 처리시간 0.025초

3차원 지하수 유동과 반응성용질이동 모델을 활용한 우라늄 흡착 및 이동에 관한 개념 모델링 (Conceptual Modeling on the Adsorption and Transport of Uranium Using 3-D Groundwater Flow and Reactive Transport Models)

  • 최병영;고용권;윤성택;김건영
    • 자원환경지질
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    • 제41권6호
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    • pp.719-729
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    • 2008
  • 본 연구에서는 지구화학 모델을 활용하여 지하수 환경에서의 우라늄의 존재 형태, 흡착 및 이동 특성을 모사해 보았다. 흡착에 의한 우라늄의 지연 이동을 효과적으로 모사하기 위하여 3차원 지하수 유동 모델과 반응성 용질 이동 모델을 활용하였다. 모사 결과, $pCO_2=10^{-3.6}$조건에서 대부분의 우라늄 흡착(최대 99.5%)은 pH 5.5와 띠에서 발생하였다. $pCO_2$$10^{-2.5}$인 경우 우라늄이 대부분 흡착되는 pH범위는 6에서 7사이로 매우 좁았으며, 반면 $pCO_2=10^{-4.5}$인 경우에는 흡착되는 pH가 범위가 상대적으로 넓어 pH 5.5에서 8.5사이에서 대부분 흡착되었다. 음이온 화합물을 고려한 경우에는 pH 6 이하에서는 불소착물의 형성에 의해 우라늄 흡착이 감소하였다. 본 연구를 통하여, 우라늄 이동이 pH, $pCO_2$ 및 음이온의 종류와 농도 등 지하수의 지화학적 조건에 의해 상당히 영향을 받음을 알 수 있었다. 향후 여러 부지 조사 및 평가와 관련하여 우라늄 및 기타 유해성 화합물의 환경 영향을 예측하는데 있어 지구화학 모델이 중요한 도구로 활용되어야 할 것이다.

방사능 누출 사례일의 국내.외 라그랑지안 입자확산 모델링 결과 비교 (Lagrangian Particle Dispersion Modeling Intercomparison : Internal Versus Foreign Modeling Results on the Nuclear Spill Event)

  • 김철희;송창근
    • 한국대기환경학회지
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    • 제19권3호
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    • pp.249-261
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    • 2003
  • A three-dimensional mesoscale atmospheric dispersion modeling system consisting of the Lagrangian particle dispersion model (LPDM) and the meteorological mesoscale model (MM5) was employed to simulate the transport and dispersion of non-reactive pollutant during the nuclear spill event occurred from Sep. 31 to Oct. 3, 1999 in Tokaimura city, Japan. For the comparative analysis of numerical experiment, two more sets of foreign mesoscale modeling system; NCEP (National Centers for Environmental Prediction) and DWD (Deutscher Wetter Dienst) were also applied to address the applicability of air pollution dispersion predictions. We noticed that the simulated results of horizontal wind direction and wind velocity from three meteorological modeling showed remarkably different spatial variations, mainly due to the different horizontal resolutions. How-ever, the dispersion process by LPDM was well characterized by meteorological wind fields, and the time-dependent dilution factors ($\chi$/Q) were found to be qualitatively simulated in accordance with each mesocale meteorogical wind field, suggesting that LPDM has the potential for the use of the real time control at optimization of the urban air pollution provided detailed meteorological wind fields. This paper mainly pertains to the mesoscale modeling approaches, but the results imply that the resolution of meteorological model and the implementation of the relevant scale of air quality model lead to better prediction capabilities in local or urban scale air pollution modeling.

지하수-지표수 물질순환 평가를 위한 반응성 운송 모형 연구 (Reactive Transport Modeling for Investigating Elemental Cycling at the Groundwater-Surface Water Interface)

  • 정희원
    • 한국수자원학회:학술대회논문집
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    • 한국수자원학회 2023년도 학술발표회
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    • pp.16-16
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    • 2023
  • 기후변화로 인한 가뭄, 홍수, 녹조 등 이상기후 현상들이 본격화함에 따라 안정적인 수자원 관리의 필요성이 증가하고 있다. 특히 급변하는 환경조건 속에서도 안정적인 수자원 확보를 가능하게 하는 지하수 자원의 적극적인 활용은 기후변화대응에 있어 핵심적인 요소이다. 지하수는 하천, 호수 연안지역 등 다양한 지표의 수문환경과 연결되어 천층지권의 수문생태적 특성을 결정하기 때문에, 지속가능한 수자원 활용을 위해서는 지하수와 지표수의 상호작용에 대한 통합적인 검토가 이루어져야 한다. 하지만 긴밀하게 연계된 특성에도 불구하고 지하수와 지표수에 대한 연구는 오랜기간 개별수문환경에 대해 독립적으로 수행되어왔다. 이러한 연구경향은 저류시간이 크게 다른 지하수와 지표수의 수문적 특성뿐 아니라 개별수문환경에서 나타나는 작용들을 통합적으로 다룰 수 있는 모델의 부제에도 기인한다. 최근 비약적인 연산능력의 향상과 함께 지하수-지표수 환경을 연계한 통합수문모델(Integrated Hydrology Model)의 개발 및 활용이 이루어짐에 따라 기후변화 및 수자원 활용에 따른 수문환경변화 대한 통합적인 연구 시도가 이루어지고 있다. 본 발표에서는 최근의 통합수문모델과 다중요소 반응성 운송 모형(Multicomponent Reactive Transport Model)의 연계를 통한 물질순환 연구의 최신 동향을 소개하고(농도-유량 상관관계, 지표수계의 화학적 풍화와 이산화탄소 저감, 녹조 등), 데이터 기반 모형을 통한 통합수문모델의 연산 효율 및 정확성 향상을 위한 방법에 대해 모색하고자 한다.

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Assessing pollutants' migration through saturated soil column

  • Smita Bhushan Patil;Hemant Sharad Chore;Vishwas Abhimanyu Sawant
    • Membrane and Water Treatment
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    • 제14권2호
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    • pp.95-106
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    • 2023
  • In the developing country like India, groundwater is the main sources for household, irrigation and industrial use. Its contamination poses hydro-geological and environmental concern. The hazardous waste sites such as landfills can lead to contamination of ground water. The contaminants existing at such sites can eventually find ingress down through the soil and into the groundwater in case of leakage. It is necessary to understand the process of migration of pollutants through sub-surface porous medium for avoiding health risks. On this backdrop, the present paper investigates the behavior of pollutants' migration through porous media. The laboratory experiments were carried out on a soil-column model that represents porous media. Two different types of soils (standard sand and red soil) were considered as the media. Further, two different solutes, i.e., non-reactive and reactive, were used. The experimental results are simulated through numerical modeling. The percentage variation in the experimental and numerical results is found to be in the range of 0.75- 11.23 % and 0.84 - 1.26% in case of standard sand and red soil, respectively. While a close agreement is observed in most of the breakthrough curves obtained experimentally and numerically, good agreement is seen in either result in one case.

$CO_2$ 지중저장 주입정에서의 $CO_2-H_2O$-시멘트 반응 운송 모델링 (Reactive transport modeling of the $CO_2-H_2O$-cement reaction in a $CO_2$ injection well for $CO_2$ geological storage)

  • 조민기;채기탁;최병영;유순영;김태희;김정찬
    • 지질공학
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    • 제20권4호
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    • pp.359-370
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    • 2010
  • $CO_2$ 지중저장에서는 대량의 $CO_2$를 장기간 안전하게 저장하여야하기 때문에 $CO_2$ 누출이 발생할 경우 $CO_2$ 지중저장의 목적이 달성될 수 없을 뿐만 아니라 주변지역으로 $CO_2$가 확산되어 보건환경/생태에 큰 영향을 미칠 수 있다. $CO_2$ 주입시 주입정을 통한 누출의 가능성이 가장 높기 때문에, 본 연구에서는 관정 시멘트에 crack이 발생하였다는 가정 하에 crack으로 $CO_2$가 누출될 경우 $CO_2-H_2O$-시멘트 간에 발생할 수 있는 화학 반응을 지구화학 모델링을 통하여 예측하였다. 모델링 결과 $CO_2$-plume이 진행됨에 따라 시멘트 페이스트를 구성하는 portlandite와 CSH(Calcium Silicate Hydrate)가 용해되고, 2차적으로 CSH의 침전과 calcite의 침전이 발생하는 것으로 예상되었다. 약 3년 후에는 침전물의 대부분을 calcite가 차지하고 약 30년까지 침전물의 대부분을 이루게 된다. 본 연구 결과는 $CO_2$ 누출 시 주입관정 내 시멘트에서 발생할 수 있는 화학적인 변화를 이해하고, 반응 모델은 누출을 방지하기 위한 시멘트 관련 연구개발에 응용될 수 있을 것으로 기대된다.

Numerical modeling of two-dimensional simulation of groundwater protection from lead using different sorbents in permeable barriers

  • Masood, Zehraa B.;Ali, Ziad Tark Abd
    • Environmental Engineering Research
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    • 제25권4호
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    • pp.605-613
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    • 2020
  • This study is to investigate the possibility of using activated carbon prepared from Iraqi date-pits (ADP) which are produced from palm trees (Phoenix dactylifera L.) as low-cost reactive material in the permeable reactive barrier (PRB) for treating lead (Pb+2) from the contaminated groundwater, and then compare the results experimentally with other common reactive materials such as commercial activated carbon (CAC), zeolite pellets (ZP). Factors influencing sorption such as contact time, initial pH of the solution, sorbent dosage, agitation speed, and initial lead concentration has been studied. Two isotherm models were used for the description of sorption data (Langmuir and Freundlich). The maximum lead sorption capacities were measured for ADP, CAC, and ZP and were found to be 24.5, 12.125, and 4.45 mg/g, respectively. The kinetic data were analyzed using various kinetic models particularly pseudo-first-order, pseudo-second-order, and intraparticle diffusion. COMSOL Multiphysics 3.5a depend on finite element procedure was applied to formulate transmit of lead (Pb+2) in the two-dimensional numerical (2D) model under an equilibrium condition. The numerical solution shows that the contaminant plume is hindered by PRB.

Simulating Bioremediation of Uranium-Contaminated Aquifers

  • 왕수균
    • 한국지하수토양환경학회:학술대회논문집
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    • 한국지하수토양환경학회 2002년도 추계학술발표회
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    • pp.161-166
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    • 2002
  • Bioremediation of trace metals in groundwater may require the manipulation of redox conditions via the injection of a carbon source. To simulate the numerous biogeochemical processes that will occur during the bioremediation of trace-metal-contaminated aquifers, a reactive transport model has been developed. The model consists of a set of coupled mass balance equations, accounting for advection, hydrodynamic dispersion, and a kinetic formulation of the biological or chemical transformations affecting an organic substrate, electron acceptors, corresponding reduced species, and trace metal contaminants of interest, uranium in this study. The redox conditions of the domain are characterized by estimating the pE, based on the concentrations of the dominant terminal electron acceptor and its corresponding reduced specie. This pE and the concentrations of relevant species we then used by a modified version of MINTEQA2, which calculates the speciation/sorption and precipitation/dissolution of the species of interest under equilibrium conditions. Kinetics of precipitation/dissolution processes are described as being proportional to the difference between the actual and calculated equilibrium concentration.

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개질기 혼합영역에서 탄화수소 연료의 반응 특성에 대한 연구 (Kinetic Study on the Mixing Region of a Hydrocarbon Reformer)

  • 김선영;배중면
    • 한국수소및신에너지학회논문집
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    • 제22권3호
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    • pp.357-362
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    • 2011
  • Complete mixture preparation of reactants prior to catalytic reforming is an enormously important step for successful operation of a fuel reformer. Incomplete mixing between fuel and reforming agents such as air and steam can cause temperature overshoot and deposit formation which can lead the failure of operation. For that purpose it is required to apply computational models describing coupled kinetics and transport phenomena in the mixing region, which are computationally expensive. Therefore, it is advantageous to analyze the gas-phase reaction kinetics prior to application of the coupled model. This study suggests one of the important design constraints, the required residence time in the mixing chamber to avoid substantial gas-phase reactions which can lead serious deposit formation on the downstream catalyst. The reactivity of various gaseous and liquid fuels were compared, then liquid fuels are far more reactive than gaseous fuels. n-Octane was used as a surrogate among the various hydrocarbons, which is one of the traditional liquid fuel surrogates. The conversion was slighted effected by reactants composition described by O/C and S/C. Finally, threshold residence times in the mixing region of a hydrocarbon reformer were studied and the mixing chamber is required to be designed to make complete mixture of reactants by tens of milliseconds at the temperature lower than $400^{\circ}C$.

Development of an Improved Numerical Methodology for Design and Modification of Large Area Plasma Processing Chamber

  • 김호준;이승무;원제형
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.221-221
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    • 2014
  • The present work proposes an improved numerical simulator for design and modification of large area capacitively coupled plasma (CCP) processing chamber. CCP, as notoriously well-known, demands the tremendously huge computational cost for carrying out transient analyses in realistic multi-dimensional models, because electron dissociations take place in a much smaller time scale (${\Delta}t{\approx}10-8{\sim}10-10$) than time scale of those happened between neutrals (${\Delta}t{\approx}10-1{\sim}10-3$), due to the rf drive frequencies of external electric field. And also, for spatial discretization of electron flux (Je), exponential scheme such as Scharfetter-Gummel method needs to be used in order to alleviate the numerical stiffness and resolve exponential change of spatial distribution of electron temperature (Te) and electron number density (Ne) in the vicinity of electrodes. Due to such computational intractability, it is prohibited to simulate CCP deposition in a three-dimension within acceptable calculation runtimes (<24 h). Under the situation where process conditions require thickness non-uniformity below 5%, however, detailed flow features of reactive gases induced from three-dimensional geometric effects such as gas distribution through the perforated plates (showerhead) should be considered. Without considering plasma chemistry, we therefore simulated flow, temperature and species fields in three-dimensional geometry first, and then, based on that data, boundary conditions of two-dimensional plasma discharge model are set. In the particular case of SiH4-NH3-N2-He CCP discharge to produce deposition of SiNxHy thin film, a cylindrical showerhead electrode reactor was studied by numerical modeling of mass, momentum and energy transports for charged particles in an axi-symmetric geometry. By solving transport equations of electron and radicals simultaneously, we observed that the way how source gases are consumed in the non-isothermal flow field and such consequences on active species production were outlined as playing the leading parts in the processes. As an example of application of the model for the prediction of the deposited thickness uniformity in a 300 mm wafer plasma processing chamber, the results were compared with the experimentally measured deposition profiles along the radius of the wafer varying inter-electrode gap. The simulation results were in good agreement with experimental data.

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