• 한국환경과학회지
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• 제11권2호
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• pp.131-137
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• 2002

The chemical behavior and properties on the redox state of environmental pollutant has been investigated by electrochemical methods. We carried out to measure the variations in the redox reaction of differential pulse polarogram and cyclic voltammogram. The results observed the influences on redox potential and current of various factors with temperature and pH. These were established factors as the effect of the redox reaction. It can be clearly recognized that the electrode reaction are from qusi-reversible to irreversible processes. Also, it was mixing with reaction current controlled. The bits-phenol A in the waste water was made to compound with cobalt ion and it take away from the separation into compound. The $Co(BPA)_2$ compound was not found to be dissociation in waste water. However, this compound is avery unstable(K=1.02) and for a while, it was to be a dissociation. Therefore, we believed that it was likely to a toxic substance.

• 한국에너지공학회:학술대회논문집
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• 한국에너지공학회 1996년도 춘계학술발표회 초록집
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• pp.111-114
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• 1996

Hydrogen generation by dissociation of water is described. The major force for the dissociation comes from the oxidation potential of the reactive metal reacting with water whereas the minor role is played by electrical discharge which helps sustain the reaction. A premixed reactive metal/water system undergoes a fast hydrogen generation upon the ignition by an electrical pulse. In another method the reactive metal can be fed into the discharge. Some characteristics of the methods are discussed.

• Bulletin of the Korean Chemical Society
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• 제33권11호
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• pp.3607-3617
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• 2012

In this paper, the study of various ortho- and meta-substituted Magnolol derivatives is presented. The reaction enthalpies related to three antioxidant action mechanisms HAT, SET-PT and SPLET for substituted Magnolols have been calculated using DFT/B3LYP method in gas-phase and water. Calculated results show that electron-withdrawing substituents increase the bond dissociation enthalpy (BDE), ionization potential (IP) and oxidation/reduction enthalpy (O/RE), while electron-donating ones cause a rise in the proton dissociation enthalpy (PDE) and proton affinity (PA). In ortho- position, substituents show larger effect on reaction enthalpies than in meta-position. In comparison to gas-phase, water attenuates the substituent effect on all reaction enthalpies. In gas-phase, BDEs are lower than PAs and IPs, i.e. HAT represents the thermodynamically preferred pathway. On the other hand, SPLET mechanism represents the thermodynamically favored process in water. Results show that calculated enthalpies can be successfully correlated with Hammett constants (${\sigma}_m$) of the substituted Magnolols. Furthermore, calculated IP and PA values for substituted Magnolols show linear dependence on the energy of the highest occupied molecular orbital ($E_{HOMO}$).

• Bulletin of the Korean Chemical Society
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• 제19권9호
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• pp.993-999
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• 1998

Acid catalyzed hydrolysis of 1-phenoxyethyl propionate, Ⅰ, has been studied using the PM3 method in the gas phase. The first step of the reaction is the protonation of basic sites, three different oxygens in Ⅰ, producing three protonated species Ⅱ, Ⅲ and Ⅳ. All possible reaction pathways have been studied from each protonated structure. Changes in the reaction mechanisms have also been discussed from the results obtained by varying a nucleophile from a water monomer to a water dimer to a complex between one water molecule and an intermediate product (propionic acid or phenol) produced in the preceding unimolecular dissociation processes. Minimum energy reaction pathway is 2-W among the possible pathways, in which water dimer acts as an active catalyst and therefore facilitates the formation of a six-membered cyclic transition state. Lower barrier of 2-W is ascribed to an efficient bifunctional catalytic effect of water molecules. PM3-SM3.1 single point calculations have been done at the gas-phase optimized structure (SM3.1/PM3//PM3) to compare theoretical results to those of experimental work.

• 대한화학회지
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• 제9권1호
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• pp.23-28
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• 1965

90% ethanol solution에서 benzyl chloride와 radioactive chloride($^{36}Cl^-$)와의 exchange를 反應速度論的으로 硏究하였으며 그 結果로 交換反應은 typical bimolecular reaction임을 알았고 그 activation parameter들은 각기 다음과 같았다. ${\Delta}H^{\neq}$= 18.50 Kcal ${\Delta}S^{\neq}$= -22.09 e.u. 특히 本實驗 缺課와 다른 實驗結果를 綜合討論함으로써 反應速度는 attacking anion의 nuclephilic ability에 크게 관계 됨을 입증할 수 있었으며 또한 exchange reaction에 있어서 halide들의 reactivity의 순서는 bond dissociation energy의 差로써 보다는 오히려 Swain의 nucleophilic parameter(n)로써 설명함이 더욱 타당함을 알았다.

• 한국수소및신에너지학회논문집
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• 제22권2호
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• pp.206-212
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• 2011

The effect of process parameters on $H_2$ production from water vapor excited by HF ICP has been qualitatively examined for the first time. With the increase of ICP power, characteristics of $H_2$ production from $H_2O$ dissociation in plasma was divided into 3 regions according to both reaction mechanism and energy efficiency. At the edge of region (II) in the range of middle ICP power, energy effective hydrogen production from $H_2O$ plasma can be achieved. Furthermore, within the region (II) power condition, heating of substrate up to $500^{\circ}C$ shows additional increase of 70~80% in $H_2$ production compared to $H_2O$ plasma without substrate heating. This study have shown that combination of optimal plasma power (region II) and wall heating (around $500^{\circ}C$) is one of effective ways for $H_2$ production from $H_2O$.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.339-339
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• 2010

The metallic nanoparticles (Pt, Au, Ag. Cu, etc.) supported on ceria-titania mixed oxide exhibit a high catalytic activity for the water gas shift reaction ($H_2O\;+\;CO\;{\leftrightarrow}\;H_2\;+\;CO_2$) and the CO oxidation ($O_2\;+\;2CO\;{\leftrightarrow}\;2CO_2$). It has been speculated that the high catalytic activity is related to the easy exchange of the oxidation states of ceria ($Ce^{3+}$ and $Ce^{4+}$) on titania, but very little is known about the ceria titanium interaction, the growth mode of metal on ceria titania complex, and the reaction mechanism. In this work, the growth of $CeO_x$ and Au/$CeO_x$ on rutile $TiO_2$(110) have been investigated by Scanning Tunneling Microscopy (STM), Photoelectron Spectroscopy (PES), and DFT calculation. In the $CeO_x/TiO_2$(110) systems, the titania substrate imposes on the ceria nanoparticles non-typical coordination modes, favoring a $Ce^{3+}$ oxidation state and enhancing their chemical activity. The deposition of metal on a $CeO_x/TiO_2$(110) substrate generates much smaller nanoparticles with an extremely high activity. We proposed a mechanism that there is a strong coupling of the chemical properties of the admetal and the mixed-metal oxide: The adsorption and dissociation of water probably take place on the oxide, CO adsorbs on the admetal nanoparticles, and all subsequent reaction steps occur at the oxide-admetal interface.

• 한국전기전자재료학회논문지
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• 제22권5호
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• pp.448-454
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• 2009

Hydrogen was produced from water plasma excited in high frequency (HF) inductively coupled tubular reactor. Mass spectrometry was used to monitor gas phase species at various process conditions, Water dissociation rate depend on the process parameters such as ICP power, $H_{2}O$ flow-rate and process pressure, Water dissociation percent in ICP reactor decrease with increase of chamber pressure, while increase with increase of ICP power and $H_{2}O$ flow rate. The effect of $CH_4$ gas addition to a water plasma on the hydrogen production has been studied in a HF ICP tubular reactor. The main roles of $CH_4$ additive gas in $H_{2}O$ plasma are to react with 0 radical for forming $CO_x$ and CHO and resulting additional $H_2$ production. Furthermore, $CH_4$ additives in $H_{2}O$ plasma is to suppress reverse-reaction by scavenging 0 radical. But, process optimization is needed because $CH_4$ addition has some negative effects such as cost increase and $CO_x$ emission.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2008년도 추계학술대회 논문집 Vol.21
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• pp.442-442
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• 2008

Hydrogen was produced by water plasma excited in very high frequency inductively coupled tube reactor. Mass spectrometry was used to monitor gas phase species at various process conditions. Water dissociation rate depend on the process parameters such as ICP power, flow-rate and pressure. Water dissociation percent in ICP reactor decrease with increase of chamber pressure and $H_2O$ flow rate, while increase with increase of ICP power. In our experimental range, maximum water dissociation rate was 65.5% at the process conditions of 265 mTorr, 68 sccm, and 400 Watt. The effect of $CH_4$ addition to a water plasma on the hydrogen production has been studied in a VHF ICP reactor. With the addition of $CH_4$ gas, $H_2$ production increases to 12% until the $CH_4$ flow rate increases up to 15 sccm. But, with the flow rate of $CH_4$ more than 20 sccm, chamber wall was deposited with carbon film because of deficiency of oxygen in gas phase, hydrogen production rate decreased. The main roles of $CH_4$ gas are to reacts with O forming CO, CHO and $CO_2$ and releasing additional $H_2$ and furthermore to prevent reverse reaction for forming $H_2O$ from $H_2$ and $O_2$. But, $CH_4$ addition has negative effects such as cost increase and $CO_x$ emission, therefore process optimization is required.

• Journal of Electrochemical Science and Technology
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• 제1권2호
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• pp.121-126
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• 2010

An amperometric ascorbic acid selective sensor utilizing the transfer reaction of proton liberated from the dissociation of ascorbic acid in aqueous solution across an elliptic micro-hole water/organic gel interface is demonstrated. This redox inactive sensing platform offers an alternative way for the detection of ascorbic acid to avoid a fouling effect which is one of the major concerns in redox based sensing systems. The detection principle is simply measuring the current change with respect to the assisted transfer of protons by a proton selective ionophore (e.g., ETH 1778) across the micro-hole interface between the water and the polyvinylchloride-2-nitrophenyloctylether gel phase. The assisted transfer reaction of protons generated from ascorbic acid across the polarized micro-hole interface was first characterized using cyclic voltammetry. An improved sensitivity for the quantitative analysis of ascorbic acid was achieved using differential pulse stripping voltammetry with a linear response ranging from 1 to $100\;{\mu}M$ concentrations of ascorbic acid. As a demonstration, the developed sensor was applied for analyzing the content of vitamin-C in different types of commercial pharmaceutical tablets and syrups, and a satisfactory recovery from these samples were also obtained.