• Bulletin of the Korean Chemical Society
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• 제20권10호
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• pp.1136-1144
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• 1999

The collision-induced reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon (001)-(2×1) surface is studied by use of the classical trajectory approach. The model is based on reaction zone atoms interacting with a finite number of primary system silicon atoms, which then are coupled to the heat bath, i.e., the bulk solid phase. The potential energy of the Hads‥Hgas interaction is the primary driver of the reaction, and in all reactive collisions, there is an efficient flow of energy from this interaction to the Hads-Si bond. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability shows the maximum near 700K as the gas temperature increases, but it is nearly independent of the surface temperature up to 700 K. Over the surface temperature range of 0-700 K and gas temperature range of 300 to 2500 K, the reaction probability lies at about 0.1. The reaction energy available for the product states is small, and most of this energy is carried away by the desorbing H2 in its translational and vibrational motions. The Langevin equation is used to consider energy exchange between the reaction zone and the bulk solid phase.

• Journal of Ginseng Research
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• 제19권3호
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• pp.249-253
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• 1995

In the browning reaction of Korean ginseng, it appears that enzymatic and non-enzymatic browning reaction occurred in the initial stage of heating fresh ginseng at low temperature, and then non-enzymatic browning reaction followed in the drying period after heating. Activation energy of the browning reaction for red ginseng was about 9.0 kcal/mol. Browning reaction of red ginseng was accede- rated with an increase in steaming time, and a great extent of browning reaction occurred between 60-90 min of steaming at 10$0^{\circ}C$. Browning pigments of red ginseng were mostly water soluble subset.

• Bulletin of the Korean Chemical Society
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• 제27권12호
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• pp.1976-1980
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• 2006

We have calculated the reaction probability and the reaction cross-section of the $N(^4S)+O_2(X^3\sum_{g}^{-})\;\rightarrow\;NO(X^2\Pi)+O(^3P)$ reaction by the quasiclassical trajectory method with the 6th-order explicit symplectic algorithm, based on a new ground potential energy surface. The advantage of the 6th-order explicit symplectic algorithm, conserving both the total energy and the total angular momentum of the reaction system during the numerical integration of canonical equations, has firstly analyzed in this work, which make the calculation of the reaction probability more reliable. The variation of the reaction probability with the impact parameter and the influence of the relative translational energy on the reaction cross-section of the reaction have been discussed in detail. And the fact is found by the comparison that the reaction probability and the reaction cross-section of the reaction estimated in this work are more reasonable than the theoretical ones determined by Gilibert et al.

• Bulletin of the Korean Chemical Society
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• 제25권11호
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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 Industrial and Engineering Chemistry
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• 제68권
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• pp.267-273
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• 2018

Hydrothermal liquefaction of Chlorella vulgaris feedstock containing 80% (w/w) water was conducted in a batch reactor as a function of temperature (300, 325 and $350^{\circ}C$) and reaction times (5, 10 and 30 min). The biocrude yield, elemental composition and higher heating value obtained for various reaction conditions helped to predict the optimum conditions for maximizing energy recovery. To optimize the recovery of inorganic nutrients, we further investigated the effect of reaction conditions on the ammonium ($NH_4{^+}$), phosphate ($PO_4{^{3-}}$), nitrate ($NO_3{^-}$) and nitrite ($NO_2{^-}$) concentrations in the aqueous phase. A maximum energy recovery of 78% was obtained at $350^{\circ}C$ and 5 min, with a high energy density of 34.3 MJ/kg and lower contents of oxygen. For the recovery of inorganic nutrients, shorter reaction times achieved higher phosphorus recovery, with maximum recovery being 53% at $350^{\circ}C$ and 5 min. Our results indicate that the reaction condition of $350^{\circ}C$ for 5 min was optimal for maximizing energy recovery with improved quality, at the same time achieving a high phosphorus recovery.

• Korean Chemical Engineering Research
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• 제53권6호
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• pp.746-754
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• 2015

본 연구는 이온교환법을 통해 Ni촉매를 담지한 저등급 석탄(인도네시아 Eco탄)과 바이오매스(대한민국 상록수)의 혼합물로부터 제조된 촤(char)를 $700{\sim}900^{\circ}C$ 등온조건에서 온도가 반응속도에 미치는 영향에 대해 알아보았다. $Char-CO_2$ 가스화 반응은 700, 750, 800, 850, $900^{\circ}C$의 온도에서 진행하였으며, 기-고체 반응의 가스화 거동특성을 알아보기 위하여 각각 다른 가정을 갖고 있는 shrinking core model(SCM), volumetric reaction model(VRM), random pore model(RPM), modified volumetric reaction model(MVRM)을 실험결과에 적용하여 비교하였다. Arrhenius equation를 이용하여 Ni-coal/biomass와 Non-catalyst coal/biomass의 활성화에너지를 구하였고 이를 비교하였다.

• 방사성폐기물학회지
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• 제11권1호
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• pp.69-75
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• 2013

본 연구에서는 산화 공정이 Zircaloy-4 (Zry-4) 피복관의 염소화 반응 속도에 미치는 영향을 연구하기 위하여 Zry-4 피복관의 염소화 반응 실험을 수행하였다. 2시간 마다 반응 생성물을 회수하며 총 6 시간 동안 염소화 반응 실험을 수행하였고, 이를 통해 500도에서 10 시간 동안 산화된 Zry-4의 경우 초기 0-2 시간 구간에서 반응 속도가 현저히 저하되는 것을 확인하였다. 반응 잔류물은 fresh Zry-4와 산화된 Zry-4에서 각각 초기무게의 0.95, 1.65wt%로 확인되었다. 회수된 Zr의 순도는 두 경우 모두 99.61wt%로 동일하였다. 반응 속도의 정량적 분석을 위해 피복관의 반응 시간을 0.5, 1, 2, 4 시간인 경우에 대해 실험을 수행하였다. 실험 결과 분석을 통해 fresh Zry-4의 경우 전 영역에 걸쳐 23.35wt%/h의 단위 시간당 무게감소를 확인할 수 있었고, 산화된 Zry-4의 경우 반응 속도가 두 영역으로 나뉘는 것을 확인하였다. 산화된 Zry-4의 무게 감소 속도는 0-20wt% 영역에서는 17.12wt%/h, 20-100wt% 영역에서는 27.16wt%/h으로 나타났다.

• Nuclear Engineering and Technology
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• 제32권6호
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• pp.531-536
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• 2000

The extraction of precious metals from aqueous solutions is performed by using a photoredox reaction with a Q-switched Nd:YAG laser. The metallic silver was efficiently precipitated and extracted from the silver nitrate solution by laser photolysis. An optimum reaction condition for silver extraction was determined by adjusting various experimental factors such as type of reducing agent, type of acids and reaction time. The composition of the reaction product was analyzed and it was identified as metallic silver, not other molecular types. The photoreaction of chromium(III) chloride in an acidic aqueous solution was also investigated. The 355 nm laser light was better suited for the reaction of silver nitrate as well as chromium(III) chloride in an acidic solution compared to the 532 nm light.

• 한국수소및신에너지학회논문집
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• 제22권4호
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• pp.415-423
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• 2011

HI decomposition step certainly demand catalytic reaction for efficient production of hydrogen in SI process. Platinum catalyst can apply to HI decomposition reaction as well as hydrogenation or dehydrogenation. Generally, noble metal is used as catalyst which is loaded form for getting high dispersion and wide active area. In this study, Pt was loaded onto zirconia, ceria, alumina, and silica by impregnation method. HI decomposition reaction was carried out under the condition of $450^{\circ}C$, 1atm, and $167.76h^{-1}$ (WHSV) in a fixed bed reactor for measuring catalytic activity. And property of a catalyst was observed by BET, TEM, XRD and chemisoption analysis. On the basis of experimental results, we discussed about conversion of HI according to physical properties of the loaded Pt catalyst onto each support.

• 한국세라믹학회지
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• 제35권10호
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• pp.1020-1029
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• 1998

The reaction-bonded TiC-Ni/Si/Co composites were prepared by the melt infiltration of Co, Si, and Ni me-tal into the TiC preforms. The miocrostructure reaction composition and mechanical properties were in-vestigated. In the case of the melt infiltrated with Co and Ni TiC grain shape was changed from angular to spherical shape with the average grain size of ∼5$\mu\textrm{m}$. In the case of the melt infiltrated with Co/Si or Ni/Si, Si was reacted with TiC particles and formed SiC particles. The bending strength of both specimens which have atomic ratio of 3 were 710 MPa and 515 MPa respectively. In the case of the melt infiltrated with Ni/Si/Co,. nonstoichiometric TiC was formed and its bending strength decreased to 420 MPa.