• Title/Summary/Keyword: diffusion-reaction behavior

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A Numerical Study on Chemical Effects of Co2 Addition to Oxidizer and Fuel Streams in H2-O2 Counterflow Diffusion Flames (수소-산소 대향류 확산 화염에서 산화제와 연료측에 첨가된 Co2의 화학적 효과에 관한 수치해석 연구)

  • Lee, Kee-Man;Park, Jeong
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.28 no.4
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    • pp.371-381
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    • 2004
  • Numerical simulation of $CO_2$ addition effects to fuel and oxidizer streams on flame structure has been conducted with detailed chemistry in H$_2$-O$_2$ diffusion flames of a counterflow configuration. An artificial species, which displaces added $CO_2$ in the fuel- and oxidizer-sides and has the same thermochemical, transport, and radiation properties to that of added $CO_2$, is introduced to extract pure chemical effects in flame structure. Chemical effects due to thermal dissociation of added $CO_2$ causes the reduction flame temperature in addition to some thermal effects. The reason why flame temperature due to chemical effects is larger in cases of $CO_2$ addition to oxidizer stream is well explained though a defined characteristic strain rate. The produced CO is responsible for the reaction, $CO_2$+H=CO+OH and takes its origin from chemical effects due to thermal dissociation. It is also found that the behavior of produced CO mole fraction is closely related to added $CO_2$ mole fraction, maximum H mole fraction and its position, and maximum flame temperature and its position.

Effects of Co-Existent Additives and the Role of Reacted Surface Film on the Friction with an Organo-Molybdenum Compound

  • Kim, Young-Hwan
    • Tribology and Lubricants
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    • v.10 no.4
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    • pp.43-50
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    • 1994
  • In order to elucidate the effects of co-existing additives (S$_{8}$, TBP: Tri butyl phosphate, ZnDTP: Zinc-dialkyl dithiophosphate) and the role of reacted surface film on the friction behavior of MoDTP (molybdenum dialkyl dithiophosphate), a friction experiment using a dual circular pipe edge surface type friction tester and XPS (X-ray photoelectronic spectrum) surface analysis were conducted. Friction reduction with MoDTP lubricant was proved to be greatly influenced by co-existing additive species. It was dependent on the properties of the film formed through the reaction between the additive and the surface. Phosphate film reduced the friction coefficient of MoDTP through suppression of diffusion of Mo compounds towards the metal substrate. On the other hand, sulfate film, which is inherently rich in lattice defects, did not lead to any appreciable friction reduction with MoDTP since the diffusion of the Mo compound towards the metal substrate was not effectively suppressed. With ZnDTP additive, the sulfide film formed through decomposition greatly influenced the lubricating performance of MoDTP. As such, properties of surface films formed from additives were proved to yield significant influence on the lubrication performance of MoDTP.

Heat Transfer by Heat Generation in Electrochemical Reaction of PEMFC (고분자 전해질 연료전지에서 전기화학반응 열생성에 의한 열전달특성)

  • Han, Sang-Seok;Lee, Pil-Hyong;Lee, Jae-Young;Park, Chang-Soo;Hwang, Sang-Soon
    • Journal of the Korean Electrochemical Society
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    • v.11 no.4
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    • pp.273-283
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    • 2008
  • GDL(Gas Diffusion Layer) is one of the main components of PEM fuel cell. It transports reactants from the channel to the catalyst and removes reaction products from the catalyst to the channels in the flow filed plate. It is known that higher permeability of GDL can make it possible to enhance the gas transport through GDL, leading to better performance. And MEA's temperature is determined by gas and heat transport. In this paper, three dimensional numerical simulation of PEM fuel cell of parallel channel and serpentine channel by the permeability of GDL is presented to analysis heat and mass transfer characteristics using a FLUENT modified to include the electrochemical behavior. Results show that in the case of parallel channel, performance variation with change of permeability of GDL was not so much. This is thought because mass transfer is carried out by diffusion mechanism in parallel channel. Also, in the case of serpentine channel, higher GDL permeability resulted in better performance of PEM fuel cell because of convection flow though GDL. And mass transfer process is changed from convection to diffusion when the permeability becomes low.

Application of Phase-Field Theory to Model Uranium Oxide Reduction Behavior in Electrolytic Reduction Process (전해환원 공정의 우라늄 산화물 환원 거동 모사를 위한 Phase-Field 이론 적용)

  • Park, Byung Heung;Jeong, Sang Mun
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.16 no.3
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    • pp.291-299
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    • 2018
  • Under a pyro-processing concept, an electrolytic reduction process has been developed to reduce uranium oxide in molten salt by electrochemical means as a part of spent fuel treatment process development. Accordingly, a model based on electrochemical theory is required to design a reactor for the electrolytic reduction process. In this study, a 1D model based on the phase-field theory, which explains phase separation behaviors was developed to simulate electrolytic reduction of uranium oxide. By adopting parameters for diffusion of oxygen elements in a pellet and electrochemical reaction rate at the surface of the pellet, the model described the behavior of inward reduction well and revealed that the current depends on the internal diffusion of the oxygen element. The model for the electrolytic reduction is expected to be used to determine the optimum conditions for large scale reactor design. It is also expected that the model will be applied to simulate the integration of pyro-processing.

Accumulation and Decay of Macroscopic Correlations in Elementary Reactions Kinetics

  • Doktorov, Alexander B.;Kipriyanov, Alexander A.;Kipriyanov, Alexey A.
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.941-952
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    • 2012
  • In the present contribution the Encounter Theory (ET) (the prototype of the classical Collision Theory in rarefied gases) concepts for widely occurring diffusion assisted irreversible bulk reactions A + A ${\rightarrow}$ C and A + B ${\rightarrow}$ C in liquid solutions examined by the authors in the literature are analyzed and compared with each other for these different types of reactions. It is shown that for a particular case of equal initial concentrations $[A]_0=[B]_0$ in the reaction A + B ${\rightarrow}$ C, when the kinetics of both reactions A + A ${\rightarrow}$ C and A + B ${\rightarrow}$ C in the framework of formal chemical kinetics and ET are the same, the accumulation of macroscopic correlations breaking the concepts of independent encounters and leading to the Generalized Encounter Theory (GET) are drastically different. The influence of the force interaction and the decay of nonstable reactants on the time behavior the macroscopic correlations is also briefly discussed.

Study the Electrochemical Reduction of Some Triazines in N,N-Dimethylformamide at Glassy Carbon Electrode

  • Fotouhi, L.;Farzinnegad, N.;Heravi, M.M.;Khaleghi, Sh.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.12
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    • pp.1751-1756
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    • 2003
  • An electrochemical study related to the electroreduction of 4-amino-6-methyl-3-thio-1,2,4-triazin-5-one(I), 6-methyl-3-thio-1,2,4-triazin-5-one(II), and 2,4-dimetoxy-6-methyl-1,3,5-triazine(III) in dimethylformamide at glassy carbon electrode has been performed. A variety of electrochemical techniques, such as differential pulse voltammetry (DPV), cyclic voltammetry (CV), chronoamperometry, and coulometry were employed to clarify the mechanism of the electrode process. The compounds I and II with thiol group exhibited similar redox behavior. Both displayed two cathodic peaks, whereas the third compound, III, without thiol group showed only one cathodic peak in the same potential range of the second peak of I and II. The results of this study suggest that in the first step the one electron reduction of thiol produced a disulfide derivative and in the second reduction step the azomethane in the triazine ring was reduced in two electron processes. A reduction mechanism for all three compounds is proposed on this basis. In addition, some numerical constants, such as diffusion constant, transfer coefficient, and rate constant of coupled chemical reaction in the first reduction peak were also reported.

Capture of Volatile Organic Iodine Species Using Mordenites

  • Tejaswini Vaidya;John P. Stanford;Nicolene van Rooyen;Krishnan Raja;Vivek Utgikar;Piyush Sabharwall
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.21 no.2
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    • pp.205-224
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    • 2023
  • The emission of off-gas streams from used fuel recycling is a concern in nuclear energy usage as they contain radioactive compounds, such as, 3H, 14C, 85Kr, 131I, and 129I that can be harmful to human health and environment. Radioactive iodine, 129I, is particularly troublesome as it has a half-life of more than 15 million years and is prone to accumulate in human thyroid glands. Organic iodides are hazardous even at very low concentrations, and hence the capture of 129I is extremely important. Dynamic adsorption experiments were conducted to determine the efficiency of sodium mordenite, partially exchanged silver mordenite, and fully exchanged silver mordenite for the removal of methyl iodide present at parts per billion concentrations in a simulated off-gas stream. Kinetic analysis of the system was conducted incorporating the effects of diffusion and mass transfer. The possible reaction mechanism is postulated and the order of the reaction and the values of the rate constants were determined from the experimental data. Adsorbent characterization is performed to investigate the nature of the adsorbent before and after iodine loading. This paper will offer a comprehensive understanding of the methyl iodide behavior when in contact with the mordenites.

Dynamic Model of a Passive Air-Breathing Direct Methanol Fuel Cell (수동급기 직접 메탄올 연료전지의 동적 모델)

  • Ha, Seung-Bum;Chang, Ikw-Hang;Cha, Suk-Won
    • 한국신재생에너지학회:학술대회논문집
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    • 2008.05a
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    • pp.33-36
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    • 2008
  • The transient behavior of a passive air breathing direct methanol fuel cell (DMFC) operated on vapor-feeding mode is studied in this paper. It generally takes 30 minutes after starting for the cell response to come to its steady-state and the response is sometimes unstable. A mathematical dynamic one-dimensional model for simulating transient response of the DMFC is presented. In this model a DMFC is decomposed into its subsystems using lumped model and divided into five layers, namely the anodic diffusion layer, the anodic catalyst layer, the proton exchange membrane (PEM), the cathodic catalyst layer and the cathodic diffusion layer. All layers are considered to have finite thickness, and within every one of them a set of differential-algebraic governing equations are given to represent multi-components mass balance, such as methanol, water, oxygen and carbon dioxide, charge balance, the electrochemical reaction and mass transport phenomena. A one-dimensional, isothermal and mass transport model is developed that captures the coupling between water generation and transport, oxygen consumption and natural convection. The single cell is supplied by pure methanol vapor from a methanol reservoir at the anode, and the oxygen is supplied via natural air-breathing at the cathode. The water is not supplied from external source because the cell uses the water created at the cathode using water back diffusion through nafion membrane. As a result of simulation strong effects of water transport were found out. The model analysis provides several conclusions. The performance drop after peak point is caused by insufficiency of water at the anode. The excess water at the cathode makes performance recovery impossible. The undesired crossover of the reactant methanol through the PEM causes overpotential at the cathode and limits the feeding methanol concentration.

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Characteristics of Stabilization Point in Lifted Turbulent Hydrogen Diffusion Jet with Coaxial Air (부상된 동축공기 수소 난류확산화염에서의 화염안정화 특성)

  • Oh, Jeong-Seog;Kim, Mun-Ki;Yoon, Young-Bin
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.36 no.4
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    • pp.352-356
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    • 2008
  • In this study of lifted hydrogen jet with coaxial air, we have experimentally studied the characteristics of stabilization point in turbulent diffusion flames. The objectives are to present the phenomenon of a liftoff height decreasing as increasing fuel velocity and to analyse the flame structure and behavior including liftoff mechanisms. The fuel jet exit velocity was changed from 100 up to 300 m/s and a coaxial air velocity was fixed at 16 m/s with a coflow air less than 0.1 m/s. For the simultaneous measurement of velocity field and reaction zone, PIV and OH PLIF technique was used with two Nd:Yag lasers and CCD cameras. It has been suggested that the stabilization of lifted hydrogen diffusion flames was correlated with a turbulent intensity, $S_t{\sim}u^{\prime}$, and jet Reynolds number, $S_t{\sim}Re^{0.017}_{jet}$.

Phosphate Adsorption on Metal-Impregnated Activated Carbon (금속담지 활성탄의 인산염 흡착특성)

  • Hwang, Min-Jin;Hwang, Yu Sik;Lee, Wontae
    • Journal of Korean Society of Environmental Engineers
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    • v.37 no.11
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    • pp.642-648
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    • 2015
  • Oak wood based activated carbon was modified with surface impregnation of $Fe^{3+}$ and $Al^{3+}$ metal ions mixture for enhancements of phosphate adsorption capacity in aqueous solution. The phosphate adsorption capacity of the prepared metal impregnated carbon (MC) was about 8 times higher than that of the original activated carbon (OC). Adsorption equilibrium capacities of the phosphate increased with increasing system temperature. The adsorption equilibrium isotherm of phosphate on the prepared MC could be represented by the Langmuir equation. Thermodynamic parameters also indicated that adsorption system was spontaneous and endothermic reaction. The internal diffusion coefficient was measured to analyze the adsorption behavior and kinetic rate. To determine the internal diffusion coefficient, pore diffusion model (PDM) was employed and the result was in good agreement with experimental data.