• Title/Summary/Keyword: Multi-species reactive transport

Search Result 3, Processing Time 0.019 seconds

Analytical Solution of Multi-species Transport Equations Coupled with a First-order Reaction Network Under Various Boundary Conditions (다양한 경계조건을 가진 일차 반응 네트워크로 결합된 다종 오염물 거동 해석해)

  • Suk, Hee-Jun;Chae, Byung-Gon
    • Journal of Soil and Groundwater Environment
    • /
    • v.16 no.6
    • /
    • pp.46-57
    • /
    • 2011
  • In this study, analytical solution of multip-species transport equations coupled with a first-order reaction network under constant concentration boundary condition or total flux boundary condition is obtained using similarity transformation approach of Clement et al. (2000). The study shows the schematic process about how multi-species transport equations with first-order sequential reaction network is transformed through the similarity transformation approach into independent and uncoupled single species transport equations with first-order reaction. The analytical solution was verified through the comparison with popular commercial programs such as 2DFATMIC and RT3D. The analytical solution can be utilized in nuclear waste sites where radioactive contaminants and their daughter products occur and in industrial complex cities where chlorinated solvent such as PCE, TCE, and its biodegradation products produces. In addition, it can help the verification of the developed numerical code.

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
    • /
    • v.21 no.6
    • /
    • pp.101-113
    • /
    • 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.

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