• Title/Summary/Keyword: reaction-diffusion modeling

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Plasma Uniformity Numerical Modeling of Geometrical Structure for 450 mm Wafer Process System (450 mm 웨이퍼 공정용 System의 기하학적 구조에 따른 플라즈마 균일도 모델링 분석)

  • Yang, Won-Kyun;Joo, Jung-Hoon
    • Journal of the Korean Vacuum Society
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    • v.19 no.3
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    • pp.190-198
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    • 2010
  • Asymmetric model for plasma uniformity by Ar and $CF_4$ was modeled by the antenna structure, the diameter of chamber, and the distance between source and substrate for the development of plasma equipment for 450 mm wafer. The aspect ratio of chamber was divided by diameter, distance from substrate, and pumping port area. And we found the condition with the optimized plasma uniformity by changing the antenna structure. The drift diffusion and quasi-neutrality for simplification were used, and the ion energy function was activated for the surface recombination and etching reaction. The uniformity of plasma density on substrate surface was improved by being far of the distance between substrate wall and chamber wall, and substrate and plasma source. And when the antenna of only 2 turns was used, the plasma uniformity can improve from 20~30% to 4.7%.

Heat transport characteristics by heat generation of electrochemical reactions in proton exchange membrane fuel cell (고분자전해질 연료전지에서 전기화학반응 열생성에 의한 열전달특성)

  • Cho, Son-Ah;Lee, Pil-Hyong;Han, Sang-Seok;Hwang, Sang-Soon
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.3377-3382
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    • 2007
  • In proton exchange membrane fuel cell, the heat is generated at the catalyst layer as result of exothermic electrochemical reaction. This heat increases temperature of gas diffusion layer and membrane whose conductivity is very sensitive to humidity, function of temperature. So it is very important to analysis heat transfer through fuel cell to maintain temperature at specified range. In this paper numerical simulation was done including reversible, irreversible, ionic resistance, water formation loss to source term of energy equation. Results show that irreversible and water formation loss contributes mainly to energy source term and as current density increases, all of energy source terms become increased and Nusselt number is increased as results of more heat generation. Particularly irreversible loss is found to be predominant among the all energy source and water formation at cathode channel influences the temperature distribution of fuel cell greatly.

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Modeling and Applications of Electrochemical Impedance Spectroscopy (EIS) for Lithium-ion Batteries

  • Choi, Woosung;Shin, Heon-Cheol;Kim, Ji Man;Choi, Jae-Young;Yoon, Won-Sub
    • Journal of Electrochemical Science and Technology
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    • v.11 no.1
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    • pp.1-13
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    • 2020
  • As research on secondary batteries becomes important, interest in analytical methods to examine the condition of secondary batteries is also increasing. Among these methods, the electrochemical impedance spectroscopy (EIS) method is one of the most attractive diagnostic techniques due to its convenience, quickness, accuracy, and low cost. However, since the obtained spectra are complicated signals representing several impedance elements, it is necessary to understand the whole electrochemical environment for a meaningful analysis. Based on the understanding of the whole system, the circuit elements constituting the cell can be obtained through construction of a physically sound circuit model. Therefore, this mini-review will explain how to construct a physically sound circuit model according to the characteristics of the battery cell system and then introduce the relationship between the obtained resistances of the bulk (Rb), charge transfer reaction (Rct), interface layer (RSEI), diffusion process (W) and battery characteristics, such as the state of charge (SOC), temperature, and state of health (SOH).

Electrochemical dehalogenation of disinfection by-products and iodine-containing contrast media: A review

  • Korshin, Gregory;Yan, Mingquan
    • Environmental Engineering Research
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    • v.23 no.4
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    • pp.345-353
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    • 2018
  • This paper summarizes results of research on the electrochemical (EC) degradation of disinfection by-products (DBPs) and iodine-containing contrast media (ICMs), with the focus on EC reductive dehalogenation. The efficiency of EC dehalogenation of DBPs increases with the number of halogen atoms in an individual DBP species. EC reductive cleavage of bromine from parent DBPs is faster than that of chlorine. EC data and quantum chemical modeling indicate that the EC reduction of iodine-containing DBPs (I-DBPs) is characterized by the formation of active iodine that reacts with the organic substrate. The occurrence of ICMs has attracted attention due to their association with the generation of I-DBPs. Indirect EC oxidation of ICMs using anodes that produce reactive oxygen species can result in a complete degradation of these compounds yet I-DBPs are formed in the process. Reductive EC deiodination of ICMs is rapid and its overall rate is diffusion-controlled yet I-DBPs are also produced in this reaction. Further progress in practically feasible EC methods to remove DBPs, ICMs and other trace-level organic contaminants requires the development of novel electrocatalytic materials, elimination of mass transfer limitations via innovative design of 3D electrodes and EC reactors, and further progress in the understanding of intrinsic mechanisms of EC reactions of DBPs and TrOC at EC interfaces.

Analysis of the Behavior of Tubular-Type Equipment for Nuclear Waste Treatment : Sensitivities of the Parameters Affecting Mass Transfer Yield (방사성폐기물의 화학처리공정에 사용되는 유동관식 장치의 해석 : 물질전달 수율에 미치는 매개변수들의 민감도)

  • Yoo, Jae-Hyung;Lee, Byung-Jik;Shim, Joon-Bo;Kim, Eung-Ho
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.5 no.1
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    • pp.91-99
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    • 2007
  • It was intended in this study to investigate the effects of various parameters on the chemical reaction or mass transfer yield in a tubular-type nuclear waste treatment equipment. Since such equipments, as a tubular reactor, multistage solvent extractor, and adsorption column, accompany chemical reaction or mass transfer along the fluid-flowing direction, mathematical modeling for each equipment was carried out first. Then their behaviors of the chemical reaction or mass transfer were predicted through computer simulations. The inherent major parameters for each equipment were chosen and their sensitivities. affecting the reaction or mass transfer yield were analyzed. For the tubular reactor, the effects of axial diffusion coefficient and reaction rate constant on the reaction yield were investigated. As for the multistage solvent extractor, the backmixing of continuous phase and the distribution coefficient between fluid and solvent were considered as the major parameters affecting the extraction yield as well as concentration profiles throughout the axial direction of the extractor. For the adsorption column, the equilibrium constant between fluid and adsorbent surface, and the overall mass transfer coefficient between the two phases were taken as the major factors that affect the adsorption rate.

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Studies on the Modeling of the Preparation of the C/SiC Composite for catalyst support by CVI (화학증기침투에 의한 촉매지지체용 C/SiC 복합체 제조에 관한 수치모사 연구)

  • 이성주;김미현;정귀영
    • Composites Research
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    • v.13 no.4
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    • pp.33-41
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    • 2000
  • In this research, the mathematical modeling of the formation of SiC layer on the activated carbon was studied to improve the durability and the oxidation resistance of catalyst supports. SiC layer on the activated carbon was formed by permeating SiC from dichlorodimethylsilane(DDS) into pores and depositing while the porous structure was kept. The best conditions of manufacturing the support were found by studying the characteristics of SiC/C which was modelled under various deposition conditions. Changes of the amount of deposition, the pore diameter, the surface area with time were obtained by simulating convection, diffusion and reaction in an isothermal reactor at a steady state. The uniform deposition in the pores of samples was obtained at a lower concentration of the reactant and a lower pressure. Additionally, it was observed that the pore diameter and the surface area have points of inflection at certain times of deposition, because deposition occurred on the inside surface of the pore at first and then on the outside surface of the particle.

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Particle Dispersion Model Speed Improvement and Evaluation for Quick Reaction to Pollutant Accidents (신속한 오염사고 대응을 위한 입자 분산 모형의 속도 개선 및 평가)

  • Shin, Jaehyun;Seong, Hoje;Park, Inhwan;Rhee, Dong Sop
    • The Journal of the Korea Contents Association
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    • v.20 no.12
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    • pp.537-546
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    • 2020
  • This study deals with the development and improvement of a particle dispersion model for quick response to water pollutant accidents. The developed model is based on the shear dispersion theory where vertical mixing is done by step by step mixing by vertical and molecular diffusion algorithm. For the quick response to chemical accidents, an algorithm for multi-core modeling for the particle dispersion model is applied. After the application of multi-core operation using OpenMP directives to the model, the relation for the calculation time and particle size were determined along with the number of cores used for parallel programming to determine the model time for chemical accident responses. The results showed the adequate conditions for the modeling of chemical accidents for quick response and to increase the applicability of the model.

News Big Data Analysis of 'Tap Water Larvae' Using Topic Modeling Analysis (토픽 모델링을 활용한 '수돗물 유충' 뉴스 빅데이터 분석)

  • Lee, Su Yeon;Kim, Tae-Jong
    • The Journal of the Korea Contents Association
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    • v.20 no.11
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    • pp.28-37
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    • 2020
  • This study was conducted to propose measures to improve crisis response to environmental issues by analyzing the news big data on the 'tap water larvae' situation and identifying related major keywords and topics. To accomplish this, 1,975 cases of 'tap water larvae' reported between July 13 to August 31, 2020 were divided into three periods and analyzed using topical modeling techniques. The analysis output 15 topics for each period. According to the result, the 'tap water larvae' incident, as reported in the media, is divided into the occurrence, diffusion, and rectification stages. The government's response and civilian risk consciousness and reaction could also be seen. Based on the result, the following measures to respond to environment risk is proposed. First, it is necessary to explore the various intertwined context with the 'tap water larvae' incident at its core and develop responsiveness to environmental problems through education which forms integrated views. Second, a role to monitor the environment must be implemented and civilian-participated environmental information must be shared through the application of internet communities. Third, the cultivation and deployment of environmental communicators who provide and communicate fast and accurate environment information is required. This study, as the first in Korea to use the topic modeling analysis method based on big data related to 'tap water larvae', has academic significance in that it has empirically and systematically analyzed environmental issues which appear as unstructured data. It also political significance as it suggests ways to improve environmental education and communication.

Adsorption Characteristics Analysis of 2,4-Dichlorophenol in Aqueous Solution with Activated Carbon Prepared from Waste Citrus Peel using Response Surface Modeling Approach (반응표면분석법을 이용한 폐감귤박 활성탄에 의한 수중의 2,4-Dichlorophenol 흡착특성 해석)

  • Lee, Chang-Han;Kam, Sang-Kyu;Lee, Min-Gyu
    • Korean Chemical Engineering Research
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    • v.55 no.5
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    • pp.723-730
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    • 2017
  • The batch experiments by response surface methodology (RSM) have been applied to investigate the influences of operating parameters such as temperature, initial concentration, contact time and adsorbent dosage on 2,4-dichlorophenol (2,4-DCP) adsorption with an activated carbon prepared from waste citrus peel (WCAC). Regression equation formulated for the 2,4-DCP adsorption was represented as a function of response variables. Adequacy of the model was tested by the correlation between experimental and predicted values of the response. A fairly high value of $R^2$ (0.9921) indicated that most of the data variation was explained by the regression model. The significance of independent variables and their interactions were tested by the analysis of variance (ANOVA) and t-test statistics. These results showed that the model used to fit response variables was significant and adequate to represent the relationship between the response and the independent variables. The kinetics and isotherm experiment data can be well described with the pseudo-second order model and the Langmuir isotherm model, respectively. The maximum adsorption capacity of 2,4-DCP on WCAC calculated from the Langmuir isotherm model was 345.49 mg/g. The rate controlling mechanism study revealed that film diffusion and intraparticle diffusion were simultaneously occurring during the adsorption process. The thermodynamic parameters indicated that the adsorption reaction of 2,4-DCP on WCAC was an endothermic and spontaneous process.

Numerical Study of Evaporation and Ignition of in-line Array Liquid Droplets (액적 배열의 증발과 착화에 관한 수치해석적 연구)

  • 김충익;송기훈
    • Fire Science and Engineering
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    • v.13 no.1
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    • pp.37-47
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    • 1999
  • The spreading fire of very small floating particles after they are ignited is fast and t therefore dangerous. The research on this area has been limited to experiments and global simulations which treat them as dusts or gaseous fuel with certain concentration well m mixed with air. This research attempted micro-scale analysis of ignition of those particles modeling them as liquid droplets. For the beginning, the in-line array of fuel droplets is modeled by two-dimensional, unsteady conservation equations for mass, momentum, energy and species transport in the gas phase and an unsteady energy equation in the liquid phase. They are solved numerically in a generalized non-orthogonal coordinate. The single step chemical reaction with reaction rate controlled by Arrhenius’ law is assumed to a assess chemical reaction numerically. The calculated results show the variation of temperature and the concentration profile with time during evaporation and ignition process. Surrounding oxygen starts to mix with evaporating fuel vapor from the droplet. When the ignition condition is met, the exothermic reactions of the premixed gas initiate a and burn intensely. The maximum temperature position gradually approaches the droplet surface and maximum temperature increases rapidly following the ignition. The fuel and oxygen concentration distributions have minimum points near the peak temperature position. Therefore the moment of ignition seems to have a premixed-flame aspect. After this very short transient period minimum points are observed in the oxygen and fuel d distributions and the diffusion flame is established. The distance between droplets is an important parameter. Starting from far-away apart, when the distance between droplets decreases, the ignition-delay time decreases meaning faster ignition. When they are close and after the ignition, the maximum temperature moves away from the center line of the in-line array. It means that the oxygen at the center line is consumed rapidly and further supply is blocked by the flame. The study helped the understanding of the ignition of d droplet array and opened the possibility of further research.

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