• Bulletin of the Korean Chemical Society
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• v.25 no.11
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• pp.1645-1647
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• 2004

Potential energy surfaces for the reaction Al + $O_2{\to}$AlO + O have been calculated with the multireference configuration interaction (MRCI) method using molecular orbitals derived from the complete active space selfconsistent field (CASSCF) calculations. The end-on geometry is the most favourable for the reaction to take place. The small reaction barrier in the present calculation (0.11 eV) is probably an artefact related to the ionicneutral avoided crossing. The charge analysis implies that the title oxidation reaction occurs through a harpooning mechanism. Along the potential energy surface of the reaction, there are two stable intermediates of $AlO_2(C_{{\infty}v}$ and $C_{2v}$) at least 2.74 eV below the energy of reactants. The calculated enthalpy of the reaction (-0.07 eV) is in excellent agreement with the experimental value (-0.155 eV) in part due to the fortuitous cancellation of errors in AlO and $O_2$ calculations.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.19 no.3
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• pp.292-300
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• 2006

In order to improve energy efficiency in the dilute trichloroethylene removal using the nonthermal plasma process, the barrier discharge treatment combined with manganese dioxide was experimentally studied. Reaction kinetics in this process was studied on the basis of final byproducts distribution. Decomposition efficiency was improved to about $99\;\%$ at the specific energy of 40 J/L with passing through manganese dioxide. C=C ${\pi}$ bond cleavage of TCE substances gave DCAC, which has the single bond of C-C through oxidation reaction during the barrier discharge plasma treatment. Those DCAC were broken easily in the subsequent catalytic reaction due to the weak bonding energy about $3{\sim}4\;eV$ compared with the double bonding energy in TCE molecules. Oxidation byproducts of DCAC and TCAA from TCE decomposition are generated from the barrier discharge plasma treatment and catalytic surface chemical reaction, respectively. Complete oxidation of TCE into COx is required to about 400 J/L, but $CO_2$ selectivity remains about $60\;\%$.

• Corrosion Science and Technology
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• v.21 no.5
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• pp.412-417
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• 2022

Proton exchange membrane fuel cells (PEMFCs) provide zero emission power sources for electric vehicles and portable electronic devices. Although significant progresses for the widespread application of electrochemical energy technology have been achieved, some drawbacks such as catalytic activity, durability, and high cost of catalysts still remain. Pt-based catalysts are regarded as the most efficient catalysts for sluggish kinetics of oxygen reduction reaction (ORR). However, their prohibitive cost limits the commercialization of PEMFCs. Therefore, we proposed a NiCo@Au core shell structure as Pt-free ORR electrocatalyst in PEMFCs. NiCo alloy was synthesized as core to introduce ionization tendency and autoxidation reaction. Au as a shell was synthesized to prevent oxidation of core NiCo and increase catalytic activity for ORR. Herein, we report the synthesis, characterization, electrochemical properties, and PEMFCs performance of the novel NiCo@Au core-shell as a catalyst for ORR in PEMFCs application. Based on results of this study, possible mechanism for catalytic of autoxidation core@anti-oxidation shell in PEMFCs is suggested.

• Journal of the Korean Ceramic Society
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• v.34 no.1
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• pp.95-101
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• 1997

Using aluminum powder with average particle size of 22.1 $\mu$m, aluminum compact made by Pressureless Powder Packing Method showed 52% green density. The activation energy of aluminum oxidation was cal-culated from the weight change of TG, and it was varied in the range of 16~64 kJ/mol. It was found from the variation of the activation energy and the observation of the microstructure that oxidation was de-pendent on the destruction of oxide film and the melt-out of aluminum. Aluminum compact was reaction-bonded at 1000~140$0^{\circ}C$ for 4~60hrs, and oxidation was dependent on temperature rather than time. Reac-tion-bonded aluminum oxide at 140$0^{\circ}C$ for 60hrs showed 92% oxidation percent. It was sintered at 1$600^{\circ}C$ for 15hrs and the sintered body showed 62% relative density.

• Journal of the Korean Chemical Society
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• v.13 no.2
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• pp.187-193
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• 1969

As part of an extensive program on the microbiological oxidation of hydrocarbons, reaction conditions and nutrients consumption of candida lipolytica grown on alkane as carbon source were studied. For optimum growth of yeast, the conditions of pH 5, temperature $30^{\circ}C$, carbon number $C_{16}$& $C_{18}$aeration 25.6 1/l/hr, agitation 3000 r.p.m., hydrocarbon concentration 10% were obtained. Carbon and nitrogen balance related to these conditions were also investigated. In the course of this investigation, some significant effects of pH and carbon number of hydrocarbon variation were observed.

• Journal of the Korean Chemical Society
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• v.47 no.4
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• pp.423-426
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• 2003

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2000.07a
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• pp.278-283
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• 2000

The activity of catalysts obtained by self-propagating high temperature synthesis in reaction of partial methane oxidation at atmospheric pressure was investigated. Basing on the compared results of X-ray analysis and gas chromatography analysis of reaction products, the dependence of compounds formation on the phase concentrations in the studied catalyst samples was found.

• Journal of the Korean Society of Safety
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• v.11 no.4
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• pp.54-63
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• 1996

We establish an expert system for the xylene oxidation reaction process of chemical plants using HAZOP(Hazard and Operability Studies). Our research focus Is only reduced to the cooling system of the total chemical plant due to lack of information. This expert system shows the priority of reasons for the system failure using confidence factor.

• Journal of the Korean institute of surface engineering
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• v.21 no.3
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• pp.95-102
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• 1988

The anodic oxidation of aniline in aqueous sulfuric acid solution on a platinum was studied. To examine of mechanism of this reaction, the date were obtained during controlled potential electrolysis, aided by computer system. The reaction mechanism was assumed the electrochemical-chemical-electrochemical(ECE) mechanism. We obtained the result that the intial charge transfer step proceeds through a radical cation, and this radical cation were bound cation led to may type of dimer in which p-aminodiphenylamine was de-electronated again to give the polymer.

• Journal of the Korean Society for Environmental Technology
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• v.19 no.6
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• pp.556-562
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• 2018

Due to the enforcement of effluent water regulation the advance sewage treatment system is needed to retrofit and remodelling. In this case the most important issue is the effluent concentrations of TP and there are a lot of system to reduce its concentration. But biological treatment processes have many restrictions to enhance the removal efficiency of TP. In this study the efficient ECO operating condition to improve and retrofit biological sewage wastewater treatment system is as follow; 1) The treatment efficiency of BOD, TN and TP at the current density of $15mA/cm^2$ was higher than the treatment efficiency at $5mA/cm^2$ in the electrodes arranged with Al-SUS(Stainless Steel) regardless of the reaction time, The TP concentration was 0.1 mg/L or less. Especially, when the reaction time was maintained at 10 min, the TP concentration was 0.06 mg/L or less irrespective of the current density. 2) The change of TP concentration is not influenced by the change of current density and rather the concentration of treated water changes according to the reaction time. In the case of electro coagulation reaction, a few seconds to several minutes are required. However, the reaction time of electro coagulation and oxidation was studied to be more than 10 minutes. 3) As a result, it has been studied that the economical current density of the electro coagulation oxidation process for TN and TP treatment of domestic wastewater is $15mA/cm^2$ or less and the reaction time is 10 minutes.