• Title/Summary/Keyword: reaction active energy.

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Observation of Water Consumption in Zn-air Secondary Batteries

  • Yang, Soyoung;Kim, Ketack
    • Journal of Electrochemical Science and Technology
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    • v.10 no.4
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    • pp.381-386
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    • 2019
  • Zn-air battery uses oxygen from the air, and hence, air holes in it are kept open for cell operation. Therefore, loss of water by evaporation through the holes is inevitable. When the water is depleted, the battery ceases to operate. There are two water consumption routes in Zn-air batteries, namely, active path (electrolysis) and passive path (evaporation and corrosion). Water loss by the active path (electrolysis) is much faster than that by the passive path during the early stage of the cycles. The mass change by the active path slows after 10 h. In contrast, the passive path is largely constant, becoming the main mass loss path after 10 h. The active path contributes to two-thirds of the electrolyte consumption in 24 h of cell operation in 4.0 M KOH. Although water is an important component for the cell, water vapor does not influence the cell operation unless the water is nearly depleted. However, high oxygen concentration favors the discharge reaction at the cathode.

Hybrid between Inorganic Material and Biological Photosystem1 for Light Energy Application

  • Kim, Yeong-Hye;Nam, Gi-Tae
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.272-272
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    • 2013
  • The attractive features of photosynthetic reaction center proteins for energy application make them useful in solar energy conversion to hydrogen fuel or electrical energy. Almost unity charge separation quantum yield and its rapid speed of ~1ns, absorbance region in visible light (480~740 nm) and high proportion of photosynthetically active solar energy of 48.5% allowed photosystem1 to exploited as a bio-material for photo-energy devices. Directionality of photosystem1 in electron transfer can solve main problem in two-step water splitting process where back reaction deteriorates the overall efficiency. In the study, photosystem1 was extracted from spinach and the photo-induced excited electron in the reaction center was utilized in various field of light energy application. First, hydrogen evolving system realized by photodeposition of platinum at the end of the electron transfer chain, with combining specific semiconductor to oxidize water in the first step of Z-scheme. The evaluation by gas-chromatography demonstrated hydrogen evolution through the system. For the further application of photoelectrical material on electrode, photosystem1 have been controlled by copper ion, which is expected to assemble photosystem in specific orientation followed by maximized photoelectrical ability of film. The research proposed concrete methods for combining natural protein and artificial materials in one system and suggested possibility of designing interface between biological and inorganic materials.

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Numerical analysis on thermal runaway by cathode active materials in lithium-ion batteries (리튬이온전지 열폭주에 대해 양극활물질이 미치는 영향에 대한 수치해석적 연구)

  • Gang, Myung-Bo;Kim, Nam-Jin
    • Journal of the Korean Society for Geothermal and Hydrothermal Energy
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    • v.17 no.2
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    • pp.1-10
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    • 2021
  • Lithium-ion batteries with high energy density, long cycle life and other advantages, have been widely used to energy storage systems(ESS). But as ESS fires frequently occur, the safety concern has become the main obstacle that hinders the large-scale applications of lithium-ion batteries. Especially, thermal runaway is the key scientific problem in battery safety research. Therefore, in this study, we performed a numerical analysis on the thermal runaway phenomenon of NCM111, NCM523 and NCM622 batteries using a two-dimensional analysis model. The results show that the two-dimensional simulation results are generally matched with three-dimensional simulation. Also, In the case of NCM111 with a low Ni content in the temperature range used in this study, thermal runaway phenomenon does occurred very slowly, but as the Ni content is increased, the thermal runaway phenomenon occurs rapidly and the thermal stability tends to be decreased. And, in NCM523 and NCM622 batteries, chain reactions occur almost simultaneously, but in the case of NCM111 battery, it is found that after the SEI(Solid Electrolyte Interface) layer decomposition reaction, the cathode-electrolyte reaction is appeared sequentially. After that, the anodic decomposition reaction is increased and leads to the thermal runaway reaction.

Redox Characteristics of $MO/Al_2O_3-ZrO_2$ [M=Ni and Cu] Mixed Metal Oxides ($MO/Al_2O_3-ZrO_2$ [M=Ni 및 Cu] 혼합 금속 산화물의 환원-산화 특성)

  • Ryu, Jae-Chun;Kim, Young-Ho;Park, Chu-Sik;Hwang, Gab-Jin;Kim, Jong-Won
    • Transactions of the Korean hydrogen and new energy society
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    • v.16 no.1
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    • pp.49-57
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    • 2005
  • [ $MO/Al_2O_3-ZrO_2$ ](M=Ni and Cu) mixed metal oxides were prepared using sol-gel method in order to investigate the applicability to the 2-step thermo-chemical water splitting process and their redox behaviors were studied by temperature programmed reaction(TPR) from room temperature to 900$^{\circ}C$ under 5% $H_2$/Ar for the reduction and $H_2O$/Ar for the oxidation, respectively. From the results, peaks of the reduction and the oxidation on temperature were shifted with the change of crystalline phases due to the addition of $Al_2O_3$ and $ZrO_2$. The intensities of the peaks were also increased with the increase of contents of NiO or CuO that could be considered as active species. In addition, based on the observation of SEM images before and after the redox test, it seemed that $Al_2O_3-ZrO_2$ added prevented high temperature sintering of active metal components such as Ni (or Cu) on the surface and played a role of dispersing the active species homogeneously in solid solution of mixed oxides.

Optimization fluidization characteristics conditions of nickel oxide for hydrogen reduction by fluidized bed reactor

  • Lee, Jae-Rang;Hasolli, Naim;Jeon, Seong-Min;Lee, Kang-San;Kim, Kwang-Deuk;Kim, Yong-Ha;Lee, Kwan-Young;Park, Young-Ok
    • Korean Journal of Chemical Engineering
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    • v.35 no.11
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    • pp.2321-2326
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    • 2018
  • We evaluated the optimal conditions for fluidization of nickel oxide (NiO) and its reduction into high-purity Ni during hydrogen reduction in a laboratory-scale fluidized bed reactor. A comparative study was performed through structural shape analysis using scanning electron microscopy (SEM); variance in pressure drop, minimum fluidization velocity, terminal velocity, reduction rate, and mass loss were assessed at temperatures ranging from 400 to $600^{\circ}C$ and at 20, 40, and 60 min in reaction time. We estimated the sample weight with most active fluidization to be 200 g based on the bed diameter of the fluidized bed reactor and height of the stocked material. The optimal conditions for NiO hydrogen reduction were found to be height of sample H to the internal fluidized bed reactor diameter D was H/D=1, reaction temperature of $550^{\circ}C$, reaction time of 60 min, superficial gas velocity of 0.011 m/s, and pressure drop of 77 Pa during fluidization. We determined the best operating conditions for the NiO hydrogen reduction process based on these findings.

Reaction Mechanism of Low Temperature NH3 SCR over MnOx/Sewage Sludge Char (MnOx/Sewage Sludge Char를 이용한 저온 NH3 SCR의 반응 메커니즘)

  • Cha, Jin-Sun;Park, Young-Kwon;Park, Sung Hoon;Jeon, Jong-Ki
    • Applied Chemistry for Engineering
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    • v.22 no.3
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    • pp.308-311
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    • 2011
  • The reaction mechanism of selective catalytic reduction of NOx over sewage sludge char impregnated with MnOx using $NH_3$ as the reducing agent was investigated. The active Mn phase was shown to be $Mn_3O_4$ from the XRD analysis. Adsorption was the dominant NOx removal mechanism at low temperatures below $150^{\circ}C$ although reduction reaction also contributed partly to the NOx removal at $100{\sim}150^{\circ}C$. The reaction rate constants of NOx removal over non-impregnated and MnOx-impregnated active chars were compared based on experimental results. The MnOx-impregnated char was shown to have a higher reaction rate constant and a higher NOx removal efficiency due to a higher collision coefficient and a lower activation energy. The activation energy for both chars was shown to be relatively low (10~12 kJ/mol) under the experimental conditions of this study.

Electrocatalytic activity of Carbon-supported near-surface alloys (NSAs) for Electode reaction of Fuel cell (연료전지 전극 반응을 위한 카본 담지 표면 합금의 전기촉매 활성)

  • Park, In-Su;Lee, Kug-Seung;Choi, Baeck-Beom;Sung, Yung-Eun
    • 한국신재생에너지학회:학술대회논문집
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    • 2006.11a
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    • pp.316-319
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    • 2006
  • There is a worldwide interest in the development and commercialization of Polymer Electrolyte Membrane Fuel Cells (PEMFCs) for vehicular and stationary applications. One of the major objectives is the reduction of loaded electrode materials, which is comprise of the Pt-based noble metals. In this paper, a novel chemical strategy is described for the preparation and characterization of carbon-supported and surface-alloys, which were prepared by using a successive reduction process. After preparing Au colloid nanoparticles, the deposition of Au colloid nanoparticles occurred spontaneously in the carbon black-dispersed aqueous solution. Then nano-scaled active materials were formed on the surface of carbon-supported Au nanoparticles. The structural and electrochemical analyses indicate that the active materials were deposited on the surface of Au nanoparticles selectively and that an at toying process occurred during the successive reducing process The carbon-supported & surface-alloys showed the higher electrocatalytic activity than those of the particle-alloys and commercial one (Johnson-Matthey) for the reaction of methanol and formic acid oxidation. The increased electrocatalytic activity might be attributed to the effective surface structure of surface-alloys, which have a high utilization of active materials for the surface reaction of electrode.

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Theoretical study of H2 evolution on N-doped monolayer graphene

  • Kim, Gye-Yeop;Han, Seung-U
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.485-487
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    • 2014
  • Nitrogen이 도핑된 graphene에서의 hydrogen evolution에 대한 촉매효과에 대해서 연구를 진행하였다. Reaction free energy를 계산하기 위해서 많은 N-doped graphene 모델을 계산하였으며 pH 조건, silicon cathode의 영향 그리고 zero point energy의 효과를 고려하였다. Volcano plot에 의하면 "pyrol" like model과 N-doped armchair graphene model (aGNR-N1)이 좋은 촉매효과를 가짐을 밝혔다. 또한 free energy diagram을 통하여 "pyrol"과 "aGNR-N1"이 좋은 active site가 될 수 있음을 확인하였고 pH가 증가함에 따라 $H^+$의 에너지가 증가함에 따라 촉매 효과가 줄어듬을 확인하였다.

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Quantitative Evaluation on Photocatalytic Activity of Anatase TiO2 Nanocrystals in Aqueous Solution

  • Jeon, Byungwook;Kim, Yu Kwon
    • Applied Science and Convergence Technology
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    • v.24 no.4
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    • pp.96-101
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    • 2015
  • Quantitative evaluation of photocatalytic activity of oxide nanoparticles in aqueous solution is quite challenging in that the kinetic reaction rate is determined by a complicated interplay among various limiting factors such as light scattering and absorption, diffusion and adsorption of reactants in condensed liquid phase, photoexcited charge separation and recombination rate, and the exact nature of active sites determined by detailed morphology and crystallinity of nanocrystals. Here, we present our simple experimental results showing that the kinetic regime of a typical photocatalytic degradation experiment over UV-irradiated $TiO_2$ nanoparticles in aqueous solution is in that dominated by the photoactivity of $TiO_2$ and its concentration. This result lays a firm ground of using the measured kinetic reaction rate in evaluating photocatalytic efficiency of oxide nanocrystals under evaluation.

DFT Study on the Different Oligomers of Glycerol (n=1-4) in Gas and Aqueous Phases

  • Valadbeigi, Younes;Farrokhpour, Hossein
    • Journal of the Korean Chemical Society
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    • v.57 no.6
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    • pp.684-690
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    • 2013
  • Since a glycerol molecule has three active sites, two ${\alpha}$ and one ${\beta}$ hydroxyl groups; it undergoes condensation by releasing water molecules to produce linear, nonlinear and heterocyclic oligomers. The Gibbs free energy (G), enthalpy (H) and internal energy (E) of 7 diglycerol, 15 triglycerol and 23 tetraglycerol isomers were calculated at B3LYP level of theory using 6-311++G(d, p) basis set, in both gas and aqueous phases. Linear oligomers, ${\alpha}{\alpha}$-diglycerol, ${\alpha}{\alpha}$, ${\alpha}{\alpha}$-triglycerol and ${\alpha}{\alpha}$, ${\alpha}{\alpha}$, ${\alpha}{\alpha}$-tetraglycerol, were found to be the most stable oligomers in aqueous phase. It was found that the stability of cyclic oligomers decreases as the size of their rings increases. Cyclic oligomers are produced by dehydration of the acyclic ones which is an endothermic reaction while its ${\Delta}G$ is negative. The dehydration reaction is less endothermic in aqueous phase.