• Title/Summary/Keyword: Reaction-Diffusion

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Development and validation of diffusion based CFD model for modelling of hydrogen and carbon monoxide recombination in passive autocatalytic recombiner

  • Bhuvaneshwar Gera;Vishnu Verma;Jayanta Chattopadhyay
    • Nuclear Engineering and Technology
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    • v.55 no.9
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    • pp.3194-3201
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    • 2023
  • In water-cooled power reactor, hydrogen is generated in case of steam zirconium reaction during severe accident condition and later on in addition to hydrogen; CO is also generated during molten corium concrete interaction after reactor pressure vessel failure. Passive Autocatalytic Recombiners (PARs) are provided in the containment for hydrogen management. The performance of the PARs in presence of hydrogen and carbon monoxide along with air has been evaluated. Depending on the conditions, CO may either react with oxygen to form carbon dioxide (CO2) or act as catalyst poison, reducing the catalyst activity and hence the hydrogen conversion efficiency. CFD analysis has been carried out to determine the effect of CO on catalyst plate temperature for 2 & 4% v/v H2 and 1-4% v/v CO with air at the recombiner inlet for a reported experiment. The results of CFD simulations have been compared with the reported experimental data for the model validation. The reaction at the recombiner plate is modelled based on diffusion theory. The developed CFD model has been used to predict the maximum catalyst temperature and outlet species concentration for different inlet velocity and temperatures of the mixture gas. The obtained results were used to fit a correlation for obtaining removal rate of carbon monoxide inside PAR as a function of inlet velocity and concentrations.

Impact of Internal/External Diffusion on Gasification Reaction Rate Analysis of Coal Char in High Temperatures and Elevated pressures (고온/고압 조건에서의 석탄 촤 내부 및 외부 가스화 반응효과)

  • Kim, Gyeong-Min;Kim, Jin-Ho;Lisandy, Kevin Yohanes;Kim, Ryang-Gyoon;Kim, Gyu-Bo;Jeon, Chung-Hwan
    • Journal of the Korean Society of Combustion
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    • v.21 no.4
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    • pp.23-29
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    • 2016
  • Reactivity of gasification defined by bouardard reaction is critical parameter in efficiency of the gasifier. In this study, char reactivity of the gasification was derived from the experiments using the intrinsic reaction kinetics model. Pressurized wire mesh heating reactor (PWMR) can produce high temperature and high pressure conditions up to 50 atm and 1750 K, respectively and PWMR was designed to evaluate the intrinsic reaction kinetics of $CO_2$ gasification. In this study, Kideco and KCH (sub-bituminous Indonesian coal) were pulverized and converted into char. Experiments used the PWMR were conducted and the conditions of the temperature and pressure were 1373~1673 K, 1~40 atm. To distinguish the pressure effect from high pressurized condition, internal and external effectiveness factors were considered. Finally, the intrinsic kinetics of the Kideco and KCH coal char were derived from $n^{th}$ order reaction rate equations.

The Effect of Carbon on the Hot Corrosion of lron by Sulfur Containing Environment. (철의 고온 황화부식에 미치는 탄소의 영향)

  • 최성필;강성군;백영남
    • Journal of Surface Science and Engineering
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    • v.21 no.2
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    • pp.53-67
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    • 1988
  • The high temperature corrosion of Fe-C alloys were studied at I atm SO gas in the temperature range 500~80$0^{\circ}C$ by means of a thermogravimetric analysis. The Na2SO4 induced high tempwrature corrosion rate was also measured at atm O2 gas under above the temperature renge. The reaction products were identified with the aid of X-ray diffraction technique, and micostruction of the alloy/scale interface was observed with a optical microscope and SEM. The experimental results were disussed by the themodeynamic calcutions. Under above the experimental condition. the reaction rates decrbon with increasing carbon content. The transfer of Fe ion was limited by a residue of carbon precipitated at alloy scale interface due to the oxidation of Fe-C alloys at alloy surface. The effect of cold working on reaction rate was different between the Fe containing low carbon and Fe-C Alloy containing carbon above 0,73 wt%. In a cold worked iron containing low carbon content, the crystallization of metal surface leads to the poor adherence between the alloy and the cavity formed between the alloy and scale. The outward diffusion of ion through the scale is estimated to be hindered by the cavity formed between the scale, consequently decreasing reaction rate. In the case Fe-C containing carbon above 0.73 Wt% alloy, the reaction rate was little affected by cold working, because the effect of content on reaction rats is greater than the effect of cold working.

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Numerical Study on Normal Propagation Bimetallic Reaction Wave in Al/Ni Nano-Multilayers (알루미늄/니켈 나노박막다층 내 수직방향 이종금속 반응파 전파 해석연구)

  • Kim, Kyoungjin
    • Journal of the Korean Society of Propulsion Engineers
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    • v.26 no.1
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    • pp.20-27
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    • 2022
  • Present modeling study of nanoenergetics focuses on the numerical simulation of reaction wave propagation in normal direction across nanoscale multilayers of aluminum and nickel combination. The governing equations for atomic and thermal diffusion are employed in one-dimensional semi-infinitely alternating Al/Ni multilayered structures and the numerical results show the established patterns of quasi-steady intermetallic reaction waves. Also, the reaction wave speed is confirmed to be highly independent of reaction wave directions in such nanoenergetic structures.

Effect of Sulfurization on SILAR Synthesized Cobalt Phosphate Hydrate Nanosheets for Oxygen Evolution Reaction

  • Kamble, Girish;Malavekar, Dhanaji;Jang, Suyoung;Kim, Jin Hyeok
    • Korean Journal of Materials Research
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    • v.32 no.10
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    • pp.408-413
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    • 2022
  • The oxygen evolution reaction (OER) is very sluggish compared to the hydrogen evolution reaction (HER). Considering this difference is essential when designing and developing a cost-effective and facile synthesis method for a catalyst that can effectively perform OER activity. The material should possess a high surface area and more active sites. Considering these points, in this work we successfully synthesized sheets of cobalt phosphate hydrate (CP) and sulphurated cobalt phosphate hydrate (CPS) material, using simple successive ionic layered adsorption and reaction (SILAR) methods followed by sulfurization. The CP and CPS electrodes exhibited overpotentials of 279 mV with a Tafel slope of 212 mV dec-1 and 381 mV with a Tafel slope of 212 mV dec-1, respectively. The superior performance after sulfurization is attributed to the intrinsic activity of the deposited well-aligned nanosheet structures, which provided a substantial number of electrochemically active surface sites, speeded electron transfer, and at the same time improved the diffusion of the electrolyte.

Shallow Junction Device Formation and the Design of Boron Diffusion Simulator (박막 소자 개발과 보론 확산 시뮬레이터 설계)

  • Han, Myoung Seok;Park, Sung Jong;Kim, Jae Young
    • 대한공업교육학회지
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    • v.33 no.1
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    • pp.249-264
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    • 2008
  • In this dissertation, shallow $p^+-n$ junctions were formed by ion implantation and dual-step annealing processes and a new simulator is designed to model boron diffusion in silicon. This simulator predicts the boron distribution after ion implantation and annealing. The dopant implantation was performed into the crystalline substrates using $BF_2$ ions. The annealing was performed with a RTA(Rapid Thermal Annealing) and a FA(Furnace Annealing) process. The model which is used in this simulator takes into account nonequilibrium diffusion, reactions of point defects, and defect-dopant pairs considering their charge states, and the dopant inactivation by introducing a boron clustering reaction. FA+RTA annealing sequence exhibited better junction characteristics than RTA+FA thermal cycle from the viewpoint of sheet resistance and the simulator reproduced experimental data successfully. Therefore, proposed diffusion simulator and FA+RTA annealing method was able to applied to shallow junction formation for thermal budget. process.

A Study on the Hydriding and Dehydriding Kinetics of a Mechanically-Alloyed Mg-25wt.%Ni Mixture (기계적 합금처리된 Mg-25wt.%Ni 혼합물의 수소화물 형성 및 분해에 대한 반응속도론적 연구)

  • Song, Myoung Youp
    • Journal of Hydrogen and New Energy
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    • v.10 no.1
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    • pp.9-17
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    • 1999
  • The hydriding and dehydriding kinetics were studied for a Mg-25wt.%Ni mixture which has the most excellent hydrogen-storage characteristics among many mechanically-alloyed mixtures. The hydriding and dehydriding rates were measured and the rate-controlling steps were determined by comparing the hydriding and dehydriding rates with the theoretical rate equations. The rate-controlling step in the hydriding reaction is the Knudsen flow and the ordinary gaseous diffusion of hydrogen molecules through interparticle channels, cracks, etc. in the various ranges of weight percentage of absorbed hydrogen $H_a$ below $H_a$=4.0. In the $H_a$ range 4.0 < $H_a{\leq}4.25$, the diffusion of hydrogen atoms through the growing hydride layer is considered the rate-controlling step. The rate-controlling step in the dehydriding reaction is the Knudsen flow and the ordinary gaseous diffusion of hydrogen molecules for all the ranges of weight percentage of desorbed hydrogen $H_d$.

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A Study on the Computational Simulation of Cyclic Voltammetry using Semi-infinite Diffusion Model (반무한 확산모델을 이용한 순환전위법의 전산모사에 관한 연구)

  • Cho, Ha-Na;Kim, Tae-Yong;Yoon, Do-Young
    • Journal of the Korean Electrochemical Society
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    • v.14 no.3
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    • pp.138-144
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    • 2011
  • The transport phenomena of electron and ion around the electrode have been analyzed, herein the computational program to simulate the electrochemical signal of cyclic voltammetry has been implemented. For the dominant mass-transfer system, the governing equation and its boundary conditions are confined to the semi-infinite diffusion model and the reversible reaction at the electrode. In order to obtain the numerical solutions of cyclic voltammetry, MATLAB was used for the explicit finite difference method. Experimental results from the cyclic voltammetry of electrochemical system(10 mM $K_3Fe(CN)_6$ and 0.1M KCl) upon the ITO glass substrate were compared with the numerical solutions. Present program explains the experimental results fairly well, where they approached the simulated ones closely with deceasing the scan rate. Furthermore, the effects of electrode area, electrochemical reaction constants and transfering coefficients in the cyclic voltammetry were discussed quantitatively.

Effect of Gas Diffusion Layer on La0.8Sr0.2CoO3 Bifunctional Electrode for Oxygen Reduction and Evolution Reactions in an Alkaline Solution (알칼리용액에서 산소환원 및 발생반응에 대한 La0.8Sr0.2CoO3 전극의 기체확산층 영향)

  • LOPEZ, KAREEN J.;YANG, JIN-HYUN;SUN, HO-JUNG;PARK, GYUNGSE;EOM, SEUNGWOOK;RIM, HYUNG-RYUL;LEE, HONG-KI;SHIM, JOONGPYO
    • Journal of Hydrogen and New Energy
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    • v.27 no.6
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    • pp.677-684
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    • 2016
  • Various commercially available gas diffusion layers (GDLs) from different manufacturers were used to prepare an air electrode using $La_{0.8}Sr_{0.2}CoO_3$ perovskite (LSCP) as the catalyst for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in an alkaline solution. Various GDLs have different physical properties, such as porosity, conductivity, hydrophobicity, etc. The ORR and OER of the resulting cathode were electrochemically evaluated in an alkaline solution. The electrochemical properties of the resulting cathodes were slightly different when compared to the physical properties of GDLs. Pore structure and conductivity of GDLs had a prominent effect and their hydrophobicities had a minor effect on the electrochemical performances of cathodes for ORR and OER.

Effect of N2 Diluent on Soot Formation Characteristics in Ethylene Diffusion Flames (에틸렌 확산화염 내 질소 혼합이 매연 생성 특성에 미치는 영향)

  • Jun-Soo Kim
    • Journal of the Korean Society of Marine Environment & Safety
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    • v.29 no.4
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    • pp.356-362
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    • 2023
  • The risk of climate change has been long acknowledged, and ongoing efforts to overcome this issue, within the shipping sector, with the international maritime organization playing a central role. Conducting research on characteristics of soot formation is crucial to control its occurrence within the combustion process. In this study, the laser extinction method and chemical reaction numerical analysis were employed to examine the alterations in the state of chemical species associated with flame temperature, flame visual, and soot formation by mixing nitrogen, an inert gas, in the counterflow diffusion flame based on ethylene gas. The findings of the study suggest that as the mixing ratio of nitrogen increased, both the flame temperature and soot volume fraction decreased. Additionally, the area in which soot particles were distributed also decreased, and the volume fraction decrease rate declined when the mixing ratio increased by more than 30%. The mole fraction of the chemical species involved in soot growth also decreased. the chemical species associated with the HACA reaction were affected by variations in the hydrocarbon fuel ratio, and the chemical species related to the odd carbon path were confirmed to be affected by the flame temperature as well as the hydrocarbon fuel ratio.