• Bulletin of the Korean Chemical Society
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• v.30 no.12
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• pp.2973-2978
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• 2009

The decomposition reaction mechanism of $CH_3CF_2O$ radical formed from hydroflurocarbon, $CH_3CHF_2$ (HFC-152a) in the atmosphere has been investigated using ab-initio quantum mechanical methods. The geometries of the reactant, products and transition states involved in the decomposition pathways have been optimized and characterized at DFT-B3LYP and MP2 levels of theories using 6-311++G(d,p) basis set. Calculations have been carried out to observe the effect of basis sets on the optimized geometries of species involved. Single point energy calculations have been performed at QCISD(T) and CCSD(T) level of theories. Out of the two prominent decomposition channels considered viz., C-C bond scission and F-elimination, C-C bond scission is found to be the dominant path involving a barrier height of 12.3 kcal/mol whereas the F-elimination path involves that of a 28.0 kcal/mol. Using transition-state theory, rate constant for the most dominant decomposition pathway viz., C-C bond scission is calculated at 298 K and found to be 1.3 ${\times}$ 10$^4s{-1}$. Transition states are searched on the potential energy surfaces involving both decomposition channels and each of the transition states are characterized. The existence of transition states on the corresponding potential energy surface are ascertained by performing Intrinsic Reaction Coordinate (IRC) calculation.

• Transactions of the Korean hydrogen and new energy society
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• v.29 no.6
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• pp.635-641
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• 2018

To select the operating condition of 0.5 MWth chemical looping combustion system, minimum fluidization velocity, transition velocity to fast fluidization and solid circulation rate were measured using mass produced new oxygen carrier (N016-R4) which produced by spray drying method for 0.5 MWth chemical looping combustion system. A minimum fluidization velocity decreased as the pressure increased. The measured transition velocity to fast fluidization was 2.0 m/s at ambient temperature and pressure. The measured solid circulation rate increased as the solid control valve opening increased. We could control the solid circulation rate from 26 to $93kg/m^2s$. Based on the measured minimum fluidization velocity and transition velocity to fast fluidization, we choose appropriate operating conditions and demonstrated continuous solid circulation at high pressure condition (5 bar-abs) up to 24 hours.

• Journal of Power System Engineering
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• v.13 no.2
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• pp.30-35
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• 2009

Numerical Calculations for dimensionless pressure drop (friction factor times Reynolds number) have been obtained for fully developed laminar flow of MPL(Modified Power Law) fluid in isosceles triangle pipes. The solutions are valid for Pseudoplastic fluids over a wide range from Newtonian behavior at low shear rates through transition region to power law behavior at higher shear rates. The analysis identified a dimensionless shear rate parameter which for a given set of operating conditions specifies where in the shear rate range a particular system is operating, i.e., Newtonian, transition or power law region. The numerical calculation data of the dimensionless pressure drop for the Newtonian and power law regions are compared with previously published asymptotic results presenting within 0.16 % in Newtonian region and 2.98 % in power law region.

• Publications of The Korean Astronomical Society
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• v.13 no.1 s.14
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• pp.129-134
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• 1998

Observations of the J=1-0 transition line of HCN were made at the center of Comet C/1995 O1 (Hale-Bopp) from November, 1996 to April, 1997 with the 14-m radio telescope at the TRAO (Taeduk Radio Astronomical Observatory). From the obtained data, an HCN production rate at each observed date was derived. The rapid variation of the HCN production rate near the perihelion was detected, and it is thought to be caused by jet(s) from the nucleus. The correlation between the visual magnitude and the HCN production rate is found to be $Q_{HCN}=27.03-0.11(m_v-5log{\Delta})$.

• Journal of Korea Technical Association of The Pulp and Paper Industry
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• v.31 no.1
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• pp.79-88
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• 1999

The stability and performance (peel strength) of the acrylic copolymer and various modified rosin systems were investigated. The peel strength was measured over a wide range of scaling rates, and the influence of the viscoelasticity of the PSA(pressure sensitive adhesive) was considered. In the case of miscible systems, the peak of peel strength (PSA performance) over wide peel rates was changed and modified systematically with increasing glass transition temperature of the blends. The peak of the peel strength for blended systems shifts toward the lower rate side as glass transition temperature ($T_g$) of the blend increased. The influence of esterification of the rosin on performance and stability against deterioration was greatly modified by blending with rosin of glycerol ester and rosin pentaerythritol ester. The failure mode of the blend varies with the combination with acrylic copolymer and modified rosin, and cohesive failure was found at a lower peel rate while interfacial failure was found at a high peel rate. A few systems where a single Tg could be measured, despite the fact that two phases were observed microscopically, were detected.

• Journal of the Korean Applied Science and Technology
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• v.25 no.1
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• pp.48-51
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• 2008

Dipalmitoyl phosphatidyl choline and p-nitrophenyl palmitate were directly sonicated in acidic water for 6 minutes to give clear stock solutions. The catalytic hydrolysis of p-nitrophenyl palmitate was studied at $30-50^{\circ}C$ in the presence of unilamellar vesicle and mixture of unilamellar and multilamellar aggregates. The difference of reaction rate between unilamellar and multilamellar was observed. The rate of unilamellar reaction compared to the rate of mixture reaction showed more catalytic effect. The phase transition temperature of vesicle was measured at $37-44^{\circ}C$.

• Proceedings of the Korea Institute of Fire Science and Engineering Conference
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• 1997.11a
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• pp.185-192
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• 1997

The combustion of cellulose insulation treated with Borax, Boric acid and Aluminum Sulfate as combustion retardants is examined by candle type combustion tester. The cellulose fibers in cellulose insulation are classified by diameter as less than 0.2mm, 0.2mm-0.5mm, 0.5mm-2mm and more than 2mm. The burning behavior of cellulose insulation are studied by LOI (Limit Oxygen Index: Beginning point of smoldering), L- point (Lower point of combustion transition from smoldering- flaming to flaming combustion), LOI, L-point and H-point rise with the increasing particle size of cellulose fibers because thermal decomposition rate of cellulose fiber decreases. The phenomena of combustion transition from smoldering to flaming combustion are determined by the generating rate of combustible gas and the formation rate of combustible gas mixture within the zone of cellulose fiber heated.

• Bulletin of the Korean Chemical Society
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• v.7 no.2
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• pp.124-129
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• 1986

The effects of molecular attraction and orientations for the energy mismatch variance, vibrational energy level and double-quantum transition, in the vibration-vibration energy exchange, have been considered. The contribution of molecular attraction increases the exchange rate of the purely repulsive interaction, in general, significantly, but which becomes smaller as the temperature is increased. As the energy mismatch is increased, its contribution is also increased, but which is small. However, its contribution for the double-quantum transition is very paramount. At each orientation, the exchange rate constants have been calculated and compared with the results for rotational average, and it is found that the exchange rate is a strong function of the orientation angles of colliding molecules. We have also discussed about the system having the strong interaction such as the hydrogen bond, and it is found that for this system the preferred orientation should be considered in order to calculate the exchange rates.

• Journal of the Korean Chemical Society
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• v.65 no.3
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• pp.185-196
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• 2021

For studying the reaction mechanism of the reactions related to NO in the ozone denitration reactions, the harmonic and anharmonic rate constants were calculated by the transition state (TS) theory and Yao and Lin (YL) method. According to above calculations, the reactions of NO with O₃ and NO₃ play an essential role, and the kinetic parameters considering anharmonic effect were fitted. Furthermore, the rate constants were up as temperature increasing, and the tendencies of high temperature were more gradual than the low temperature. The research will provide theoretical basis for the ozone denitration reactions.

• Journal of computational fluids engineering
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• v.6 no.4
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• pp.15-25
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• 2001

Numerical prediction of the diffusion controlled transition in a turbine gas pass is important because it can change the local heat transfer rate over a turbine blade as much as three times. In this study, the gas flow over turbine blade is simplified to the flat plate boundary layer, and an adaptive grid scheme redistributing grid points within the computation domain is proposed with a great emphasis on the construction of the grid control function. The function is sensitized to the second invariant of the mean strain tensor, its spatial gradient, and the interaction of pressure gradient and flow deformation. The transition process is assumed to be described with a κ-ε turbulence model. An elliptic solver is employed to integrate governing equations. Numerical results show that the proposed adaptive grid scheme is very effective in obtaining grid independent numerical solution with a very low grid number. It is expected that present scheme is helpful in predicting actual flow within a turbine to improve computation efficiency.