• Industry Promotion Research
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• v.3 no.2
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• pp.1-8
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• 2018

In this study, the reaction mechanism of ethane and the reaction rate equation suitable for hydrocarbon reforming were studied. Through the reaction mechanism analysis, it was confirmed that three reactions (CO2 + H2, C2H6 + H2, C2H6 + H2O) proceed during the reforming reaction of ethane, each reaction rate (CO2+H2($r=3.42{\times}10-5molgcat.-1\;s-1$), C2H6+H2($r=3.18{\times}10-5mol\;gcat.-1s-1$), C2H6+H2O($r=1.84{\times}10-5mol\;gcat.-1s-1$)) was determined. It was confirmed that the C2H6 + H2O reaction was a rate determining step (RDS). And the reaction equation of this reaction can be expressed as r = kS * (KAKBPC2H6PH2O) / (1 + KAPC2H6 + KBPH2O) (KA = 2.052, KB = 6.384, $kS=0.189{\times}10-2$) through the Langmuir-Hinshelwood model. The obtained equation was compared with the derived power rate law without regard to the reaction mechanism and the power rate law was relatively similar fitting in the narrow concentration change region (about 2.5-4% of ethane, about 60-75% of water) It was confirmed that the LH model reaction equation based on the reaction mechanism shows a similar value to the experimental value in the wide concentration change region.

• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3249-3252
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• 2013

We have explored the potential energy surface for the isomerization of the aniline (AN) radical cation to the 2-, 3-, and 4-methylpyridine (picoline, MP) radical cations using G3 model calculations. The isomerization may occur through the 1H-azepine (7-aza-cycloheptatriene) radical cation. A quantitative kinetic analysis has been performed using the Rice-Ramsperger-Kassel-Marcus theory, based on the potential energy surface. The result shows that isomerization between $AN^{+\bullet}$ and each $MP^{+\bullet}$ hardly occurs before their dissociations.

• Korean Journal of Food Science and Technology
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• v.33 no.1
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• pp.66-71
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• 2001

Kinetic parameters for the texture degradation of three varieties of sweet potato during heating were determined using two alternative methods, the biphasic model and the fractional conversion method. The texture degradation of sweet potatoes during heating could be expressed by two simultaneous first order reactions using the biphasic method, whose activation energies were ranged $71.0{\sim}75.1\;kJ/mol\;and\;48.4{\sim}59.6\;kJ/mol$ for the initial fast texture degradation reaction and the slow texture degradation reaction at a prolonged heating period, respectively. However, the whole texture degradation phenomena of sweet potatoes during heating could also be explained by a single first order reaction using the fractional conversion method. The activation energies were $67.5{\sim}75.3\;kJ/mol$, which were comparable with those of the first phase reaction for the texture degradation determined by the biphasic model. A kinetic compensation effect shown between the kinetic parameters determined by both methods indicates that both methods can be conveniently used to determine kinetic parameters for the texture degradation of sweet potatoes by heating.

• Journal of the Speleological Society of Korea
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• no.71
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• pp.5-11
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• 2006

A theoretical investigation of the solid phase mechanochemical synthesis of nano sized target product on the basis of dilution of the initial powdered reagent mixture by another product of an exchange reaction is presented. On the basis of the proposed 3 mode particle size distribution in mechanically activated mixture, optimal molar ratios of the components in mixture are calculated, providing the occurrence of impact friction contacts of reagent particles and excluding aggregation of the nanosized particles of the target reaction product. Derivation of kinetic equations for mechanochemical synthesis of nanoscale particles by the final product dilution method in the systems of exchange reactions is submitted. On the basis of obtained equations the necessary times of mechanical activation for complete course of mechanochemical reactions are designed. Kinetics of solid phase mechanosynthesis of nano TlCl by dilution of initial (2NaCl+$Tl_2SO_4$) mixture with the exchange reaction product (diluent,$zNa_2SO_4$, z=z*=11.25) was studied experimentally. Some peculiar features of the reaction mechanism were found. Parameters of the kinetic curve of nano TlCl obtained experimentally were compared with those for the model reaction KBr+TlCl+zKCl=(z+1) KCl+TlBr (z=z1*=13.5), and for the first time the value of mass transfer coefficient in a mechanochemical reactor with mobile milling balls was evaluated. Dynamics of the size change was followed for nanoparticle reaction product as a function of mechanical activation time.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2005.07a
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• pp.405-406
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• 2005

A theoretical investigation of the solid-phase mechanochemical synthesis of nano-sized target product on the basis of dilution of the initial powdered reagent mixture by another product of an exchange reaction is presented. On the basis of the proposed 3-mode particle size distribution in mechanically activated mixture, optimal molar ratios of the components in mixture are calculated, providing the occurrence of impact-friction contacts of reagent particles and excluding aggregation of the nanosized particles of the target reaction product. Derivation of kinetic equations for mechanochemical synthesis of nanoscale particles by the final product dilution method in the systems of exchange reactions is submitted. On the basis of obtained equations the necessary times of mechanical activation for complete course of mechanochemical reactions are designed. Kinetics of solid phase mechanosynthesis of nano-TlCl by dilution of initial (2NaCl + $Tl_2SO_4$) mixture with the exchange reaction product (diluent, $zNa_2SO_4$, $z=z^*=11.25$) was studied experimentally. Some peculiar features of the reaction mechanism were found. Parameters of the kinetic curve of nano-TlCl obtained experimentally were compared with those for the model reaction KBr + TlCl + zKCl = (z + 1) KCl + TlBr ($z=z_l^*=13.5$), and for the first time the value of mass transfer coefficient in a mechanochemical reactor with mobile milling balls was evaluated. Dynamics of the size change was followed for nanoparticle reaction product as a function of mechanical activation time.

• Korean Journal of Food Science and Technology
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• v.20 no.2
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• pp.272-279
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• 1988

Kinetics of ascorbic acid destruction and browning were evaluated by the dynamic test using actual drying data in order to apply in the optimization of food dehydration. Radish was chosen as a test material because it has many typical quality characteristics during drying. Radish was dried in the cabinet dryer with being measured in moisture, food temperature, ascorbic acid and browning. Using moisture and temperature history, proposed kinetic model was integrated and parameters of the model were searched by the iteration scheme to show minimum discrepancy between predicted and experimental data. Ascorbic acid destruction and browning were represented by first and zero order reaction respectively. Arrhenius equation was used to describe temperature dependence. Several mathematical functions of moisture dependence were compared in the model simplicity and residual sum of square. Attained kinetic models were analyzed as functions of temperature and moisture. Rate of ascorbic acid destruction was low at high moisture content, increased with moisture decrease to show a maximum at the moisture of $9{\sim}12g/g$ dry solid, and then decreased up to full dryness. Browning rate increased with moisture decrease to show a sharp maximum at $4{\sim}6g/g$ dry solid and decreased with further moisture decrease.

• Journal of Soil and Groundwater Environment
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• v.8 no.2
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• pp.70-77
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• 2003

Theoretical estimation of overall stoichiometry for the microbial degradation of hazardous organic compounds is described. Half-reaction method based on microbial energetics was used in the theoretical estimation. In addition to the half-reaction method, other theoretical methods such as intermediate formation, oxygenation reaction, and estimation of the standard free energy of formation by group contribution theory were also applied. As a case study, the application of these methods was demonstrated for the estimation of microbial kinetics in the biodegradation of phenanthrene which was chosen as a model hazardous organic compound along with glucose and hexadecane. The cell yield, oxygen requirement, nitrogen requirement, and mineralization ratio could be estimated from the overall stoichiometry. It is believed that these theoretical estimation methods are useful tools for practical design and assessment of bioremediation of soil and groundwater contaminated with hazardous organic compounds.

• Elastomers and Composites
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• v.37 no.2
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• pp.124-133
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• 2002

Waste PBT powder was depolymerized by saponification under the mild temperature conditions($80{\sim}110^{\circ}C$) and atmospheric pressure. In depolymerization of PBT, sodium hydroxide was more effective than potassium hydroxide. The depolymerization increased with increasing reaction temperature and decreasing particle size. The reaction kinetics of depolymerization could be expressed by the shrinking unreacted core model without product layer, in which the surface reaction was a rate determining step. The activation energy was 98.1 KJ/mol. The recovery ratio of the TPA obtained from the depolymerized PBT particles of 85.1 and $105{\mu}m$ for 6 hours was about 95%.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.14 no.3
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• pp.1527-1532
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• 2013

The kinetics of photocatalytic degradation of gaseous acetaldehyde and methylethylketone(MEK) were studied by the batch scale of photo-reactor. Variable parameters were initial concentration of acetaldehyde and MEK, water vapor content, and temperature. The photocatalytic degradation rate was increased with increasing concentration of acetaldehyde and MEK, but maintained gentle increase beyond a certain concentration. The Langmuir-Hinselwood model was successfully applied to correlate experimental data. Water vapor inhibited the degradation reaction of acetaldehyde and MEK. The optimum reaction temperature was $45^{\circ}C$ for acetaldehyde and MEK.

• Transactions of the Korean hydrogen and new energy society
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• v.13 no.3
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• pp.214-223
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• 2002

Kinetic and effectiveness factors for methanol steam reforming using commercial copper-containing catalysts in a plug flow reactor were investigated over the temperature ranges of $180-250^{\circ}C$ at atmospheric pressure. The selectivity of $CO_2$/$H_2$ was almost 100%, and CO products were not observed under reaction conditions employed in this work. It was indicated that $CO_2$ was directly produced and CO was formed via the reverse water gas shift reaction after methanol steam reforming. The intrinsic kinetics for such reactions were well described by the Langmuir-Hinshelwood model based on the dual-site mechanism. The six parameters in this model, including the activation energy of 103kJ/mol, were estimated from diffusion-free data. The significant effect of internal diffusion was observed for temperature higher than $230^{\circ}C$ or particle sizes larger than 0.36mm. In the diflusion-limited case, this model combined with internal effectiveness factors was also found to be good agreement with experimental data.