• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.15 no.3
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• pp.275-280
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• 2002

The peculiarities of using Self-propagating High-temperature Synthesis (SHS) and solid-stave chase synthesis for production of high temperature superconductor materials were discussed. Oxide superconductors with general formula of $ReBa_2Cu_3O_{7-x}$ (Re=Y, Sm) haute been made by using barium oxide initial powder instead of traditional barium carbonate. Phenomena observed during the grinding of the reactants mixture are presented. Mechano-chemical activation - as a pre-treatment of the reactants mixture - strongly influences the kinetic parameters, the reaction mechanism, and the composition and structure of the final product.

• Proceedings of the KSME Conference
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• 2003.04a
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• pp.1690-1696
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• 2003

A two-dimensional direct numerical simulation is performed to investigate the flame structure of $CH_4/N_2$-Air counterflow nonpremixed flame interacting with a single vortex. The detailed transport properties and a modified 16-step augmented reduced mechanism based on Miller and Bowman's detailed chemistry are adopted in this calculation. The results show that an initially flat stagnation plane, where an axial velocity is zero, is deformed into a complex-shaped plane, and an initial stagnation point is moved far away from vortex head when the counterflow field is perturbed by the vortex. It is noted that the movement of stagnation point can alter the mechanism of reactants (fuel and oxidizer) fluxes into the flame surface, and then can alter the flame structure.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2001.04a
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• pp.32-36
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• 2001

Recently, reaction injection molding has been used broadly for rapid prototyping, because of its convenience and versatility. Since the properties of molded products are dependent on the process variables and the production is very short(less than 2minutes), the control of process variables is important. Generally, the two significant process variables are degree of cure and temperature of the reactants. In this paper, the relation between the degree of cure and the temperature of reactants was investigated to find the optimal curing condition of reaction injection molding for rapid prototyping. The degree of cure during reaction injection molding was measured by the Lacomtech sensor and dielectrometry equipment employing Wheatstone bridge type circuit.

• Proceedings of the KSME Conference
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• 2001.11b
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• pp.770-775
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• 2001

Numerical calculation has been performed to investigate the fluid flow, heat transfer and local mass fraction of chemical species in the MOCVD (metalorganic chemical vapor deposition) manufacturing process. The mixing of reactants (trimethylgallium with hydrogen gas and ammonia) was presented by the concentration of each reactants to predict the uniformity of film growth. Effects of inlet size, location, mass flow rate and susceptor/cold wall tilt angle on the concentration were reported. The newly developed reactor, that precursors were supplied at separated inlet to prevent from premixing, was investigated to obtain the quantitative verification. As a results, the optimum mass flow rate, wall tilt angle and inlet conditions were proposed.

• 한국신재생에너지학회:학술대회논문집
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• 2007.11a
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• pp.67-70
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• 2007

Diesel autothermal reforming has several problems such as carbon deposition in reforming reactor, sulfur poisoning of catalyst, difficulty of aromatics decomposition and mixing problems of reactants(diesel, steam, oxygen). Severe carbon deposition causes the rapid performance degradation of reformer. Carbon deposition is formed from ethylene, carbon precursor. Ethylene was generated at the homogeneous reaction zone of the reactor entrance. This phenomenon is closely linked to the mixing of reactants. In this investigation, we try to minimize the ethylene generation at the reactor entrance atomization technique.

• 한국신재생에너지학회:학술대회논문집
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• 2011.11a
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• pp.99.1-99.1
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• 2011

Reactant mixing has a critical role in ensuring reformate quality and an important design objective is to achieve sufficiently complete mixture of reactants. For that purpose it is required to understand the coupled transport-kinetics phenomena in the mixing region. Three-dimensional computational fluid dynamics model was developed and validated in previous works. The mixing characteristics in various alternatives of a prototype mixing chamber were compared, and then a reduced reaction kinetics was applied to two extreme designs for investigating the impact of gas-phase reactions. Both designs did not reach threshold ethylene mole fraction of 0.001, but surprisingly more ethylene was generated in the design having better mixing characteristics. The presentation will deliver the development process of coupled transport and kinetics model briefly and the detailed information about the mixing characteristics and gas-phase reactions in two mixer designs.

• Bulletin of the Korean Chemical Society
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• v.27 no.2
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• pp.197-202
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• 2006

In the reaction A + B $^\rightarrow_\leftarrow$ C, where A and B are ionic reactants having opposite charges, a B molecule approaching an A will experience a switching of the interaction potential when the A molecule is captured by one of the other B molecules in the medium. In the reversible case, the former B molecule still has a chance to react with the A, so that one needs to take into account the switched interaction between the reactant B and the product C as well as that between the reactants to treat the kinetics accurately. It is shown that this kind of interaction potential switching affects the relaxation kinetics in an intriguing way as observed in a recent experiment on an excited-state proton transfer reaction.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2005.07a
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• pp.645-646
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• 2005

The increasing hydroxyl ($OH^-$) groups diffused into the TEOS and then weakened reactants such as H-C-O-Si bonds on the surface of TEOS film were actively generated with the increase of slurry temperature. These soft reactants on the surface of TEOS film could be removed easily by mechanical parts of CMP.

• Bulletin of the Korean Chemical Society
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• v.19 no.6
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• pp.634-641
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• 1998

Quasiclassical trajectory calculations were carried out for the reactions of $H+H_2$ (V=O, J=O) and its isotope variants on the Siegbahn-Liu-Truhlar-Horowitz potential energy surface for the relative energies E between 6 and 150 kcal/mol. The goal of the work was to understand the inter- and intramolecular isotope effects. We examine the relative motion of reactants during the collision using the method of analysis that monitors the intermolecular properties (internuclear distances, geometry of reactants, and final product). As in other works, we find that the heavier the incoming atom is, the greater the reaction cross section is at the same collision energy. Using the method of analysis we prove that the intermolecular isotope effect is contributed mainly by differences in reorientation due to the different reduced masses. We show that above E=30 kcal/mol recrossing also contributes to the intermolecular isotope effect. For the intramolecular isotope effect in the reactions of H+HD and T+HD, we reach the same conclusions as in the systems of $O(^3P)+HD$, F+HD, and Cl+HD. That is, the intramolecular isotope effect below E=150 kcal/mol is contributed by reorientation, recrossing, and knockout type reactions.

• Bulletin of the Korean Chemical Society
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• v.12 no.6
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• pp.658-661
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• 1991

The gas-phase nucleophilic substitution reaction of pentafluoroanisole with $OH^-$ and ${NH_2}^-$ nucleophiles have been studied theoretically using the AM1 method. Three reaction channels, $S_N2$, IPSO and $S_NAr$ (scheme 1), are all very exothermic so that all are accessible despite the varying central energy barriers which are much lower than the reactants level. In the IPSO and $S_NAr$ channels, the reactants form directly a stable ,${\sigma}$-anion complex which proceeds to form a proton transfer complex via a transition barrier corresponding to a loose ${\pi}$-type complex with the F-(or ${OCH_3}^-$) leaving group. Due to a greater number of probable reaction sites available for $S_NAr$ compared to the other two processes, the $S_NAr$ channel is favored as experimentally observed.