• Title/Summary/Keyword: reactive transport models

Search Result 10, Processing Time 0.026 seconds

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

  • Choi, Byoung-Young;Koh, Yong-Kwon;Yun, Seong-Taek;Kim, Geon-Young
    • Economic and Environmental Geology
    • /
    • v.41 no.6
    • /
    • pp.719-729
    • /
    • 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.

Model Development for Analysis of Nitrate Leaching and Its Field Application in a Rural Area (농촌지역의 질산성질소 거동 해석을 위한 모델 개발 및 현장 적용)

  • Suk, Hee-Jun;Chon, Chul-Min
    • Economic and Environmental Geology
    • /
    • v.42 no.6
    • /
    • pp.561-574
    • /
    • 2009
  • Unsaturated/saturated groundwater flow and solute transport model, VSFRT2D(Variable Saturated Flow and Reactive Transport model) was developed considering effects of pumping, irrigation, and denitrification. VSFRT2D employed Richards equation as governing equation for groundwater flow and previously existing unsaturated models modified by including computational procedure of evapotranspiration at surface using Thornthwaite method when precipitation doesn't occur. Bioremediation processes based on monod kinetics are described using four nonlinear contaminant transport equations and three nonlinear microbes transport equations. The developed model was applied to field data in Hongsung area contaminated with nitrate. In order to identify the effect of precipitation, pumping, evapotranspiration, irrigation, fertilizer application, and various bioremediations on groundwater flow and contaminant transport, individual processes were separated and simulated. Then all results obtained from the individual processes are compared with each other. The simulation results show that bioremediation had a negligible effect on nitrate concentration change. However, pumping for irrigation, precipitation, and nitrogen fertilizer application showed profound influences on nitrate concentration change.

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
    • /
    • v.25 no.4
    • /
    • pp.605-613
    • /
    • 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.

A Reactive Planner-Based Mobile Agent System

  • Seok, Whang-Hee;Kim, In-Cheol
    • Proceedings of the Korea Inteligent Information System Society Conference
    • /
    • 2001.01a
    • /
    • pp.179-185
    • /
    • 2001
  • Mobile agents have the unique ability to transport themselves from one system in a network to another. The ability to travel allows mobile agents to move to a system that contains services with which they want to interact and then to take advantage of being in the same host or network as the service. But most of conventional mobile agent systems require that the users or the programmer should give the mobile agent its detail behavioral script for accomplishing the given task. And during its runtime, such mobile agents just behave according to the fixed script given by its user. Therefore it is impossible that conventional mobile agents autonomously build their own plants and execute them in considering their ultimate goals and the dynamic world states. One way to overcome such limitations of conventional mobile agent systems is to develop an intelligent mobile agent system embedding a reactive planner. In this paper, we design both a model of agent mobility and a model of inter-agent communication based upon the representative reactive planning agent architecture called JAM. An then we develop an intelligent mobile agent system with reactive planning capability, IMAS, by implementing additional basic actions for agent moves and inter-agent communication within JAM according to the predefined models. Unlike conventional mobile agents. IMAS agents can be able to adapt their behaviors to the dynamic changes of their environments as well as build their own plans autonomously. Thus IMAS agents can show higher flexibility and robustness than the conventional ones.

  • PDF

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
    • /
    • v.6 no.1
    • /
    • pp.67-81
    • /
    • 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.

Development of Virtual Integrated Prototyping Simulation Environment for Plasma Chamber Analysis and Design (VIP-SEPCAD) (플라즈마 챔버의 특성 분석 및 최적 설계를 위한 가상의 시뮬레이션 환경 개발)

  • 김헌창;설용태
    • Journal of the Semiconductor & Display Technology
    • /
    • v.2 no.4
    • /
    • pp.9-12
    • /
    • 2003
  • This paper describes a newly developed simulation environment for analysis and design of a plasma processing chamber based on first principles including complicated physical and chemical interactions of plasma, fluid dynamics of neutrals, and transport phenomena of particles. Capabilities of our simulator, named VIP-SEPCAD (Virtual Integrated Prototyping Simulation Environment for Plasma Chamber Analysis and Design), are demonstrated through a two dimensional simulation of an oxygen plasma chamber. VIP-SEPCAD can provide plasma properties such as spatiotemporal profiles of plasma density and potential, electron temperature, ion flux and energy, etc. By coupling neutral and particle transport models with a three moment plasma model, VIP-SEPCAD can also predict spatiotemporal profiles of chemically reactive species and particles exist in plasma.

  • PDF

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
    • /
    • v.2 no.1
    • /
    • pp.39-51
    • /
    • 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.

  • PDF

Postprandial hypoglycemic effect of mulberry leaf in Goto-Kakizaki rats and counterpart control Wistar rats

  • Park, Ji-Min;Bong, Ha-Yoon;Jeong, Hye-In;Kim, Yeon-Kyoung;Kim, Ji-Yeon;Kwon, O-Ran
    • Nutrition Research and Practice
    • /
    • v.3 no.4
    • /
    • pp.272-278
    • /
    • 2009
  • Postprandial hypoglycemic effect of mulberry leaf (Morus alba L.) was compared in two animal models: Goto-Kakizaki (GK) rats, a spontaneous non-obese animal model for type II diabetes, and their counterpart control Wistar rats. First, the effect of a single oral administration of mulberry leaf aqueous extract (MLE) on postprandial glucose responses was determined using maltose or glucose as substrate. With maltose-loading, MLE reduced peak responses of blood glucose significantly in both GK and Wistar rats (P < 0.05), supporting the inhibition of $\alpha$-glucosidase by MLE in the small intestine. With glucose-loading, MLE also significantly reduced blood glucose concentrations, measured at 30 min, in both animal models (P < 0.01), proposing the inhibition of glucose transport by MLE. Next, dried mulberry leaf powder (MLP) was administered for 8 weeks by inclusion in the diet. By MLP administration, fasting blood glucose was significantly reduced at weeks 4 and 5 (P < 0.05), but then returned to values that were similar to those of the control at the end of experimental period in GK rats. Insulin, HOMA-IR, C-reactive protein, and triglycerides tended to be decreased by MLP treatment in GK rats. All other biochemical parameters were not changed by MLP administration in GK rats. Collectively, these findings support that MLE has significant postprandial hypoglycemic effect in both non-obese diabetic and healthy animals, which may be beneficial as food supplement to manage postprandial blood glucose. Inhibitions of glucose transport as well as $\alpha$-glucosidase in the small intestine were suggested as possible mechanisms related with the postprandial hypoglycemic effect of MLE.

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

  • Kim, Sun-Young;Bae, Joong-Myeon
    • Transactions of the Korean hydrogen and new energy society
    • /
    • v.22 no.3
    • /
    • pp.357-362
    • /
    • 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

  • Kim, Ho-Jun;Lee, Seung-Mu;Won, Je-Hyeong
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2014.02a
    • /
    • pp.221-221
    • /
    • 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.

  • PDF