• Applied Biological Chemistry
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• v.38 no.5
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• pp.455-462
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• 1995

The new six herbicidal N-[(pyrimidin-2-yl)aminocarbonyl]-2-substituted-6-(1-hydroxy-2-fluoroethyl)benzenesulfonamide derivatives(S) were synthesized and rate constants for the hydrolysis of thier in the range of pH $1.0{\sim}10.0$ have been studied in 15%(v/v) aqueous acetonitrile solution at $45^{\circ}C$. From the basis of the results, pH-effect, solvent effect, ortho-substituent effect, thermodynamic parameters(${\Delta}H^{\neq}$ & ${\Delta}S^{\neq}$), pKa constant(4.80), rate equation, analysis of hydrolysis products(2-(1-hydroxy-2-fluoroethyl)benzenesulfonamide & 4,6-dimethoxyaminopyrimidine), it may be concluded that the general acid catalyzed hydrolysis through $A-S_E2$ mechanism and specific acid catalyzed hydrolysis through A-2 type(or $A_{AC}2$) mechanism proceeds via conjugate acid($SH^+$) and tetrahedral intermediate(I) below pH 8.0, whereas, above pH 9.0, the general base catalyzed hydrolysis by water molecules(B) through $(E_1)_{anion}$ mechanism proceeds via conjugate base(CB). In the range between $pH\;7.0{\sim}pH\;9.0$, these two reactions occur competitively.

• Journal of the Korean Chemical Society
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• v.25 no.2
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• pp.75-84
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• 1981

Ultraviolet spectrophotometric investigations have been carried out on the systems of mesitylene with iodine, bromine, iodine monochloride and iodine monobromide in carbon tetrachloride. The results reveal the formation of the charge transfer complexes of the type, $C_6H_3(CH_3)_3{\cdot}X_2$ or $C_6H_3(CH_3)_3{\cdot}IX$ (X denotes halogen atoms). The equilibrium constants were obtained in consideration of that absorption maxima due to the formation of the charge transfer complexes shift to blue with the increasing temperatures. Thermodynamic parameters, ${\Delta}H$, ${\Delta}G$ and ${\Delta}S$ for the formation of the charge transfer complexes were calculated from these values. These results indicate that the relative stabilities of the mesitylene complexes at each temperature decrease in the order, ICl > IBr > $I_2$ > $Br_2$. This order may be a measure of their relative acidities toward mesitylene, which is explaned in terms of the relative polarizabilities of halogen molecules and the relative electronegativities of halogen atoms. These results combined with previous study of this series indicated that the relative stabilities of the polymethylbenzene complexes with iodine increase in the order Benzene < Toluene < Xylene < Mesitylene Thus, analysis of these findings is discussed.

• Resources Recycling
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• v.27 no.2
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• pp.24-31
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• 2018

In this study, waste ITO target is dissolved into hydrochloric acid to generate a complex indium-tin chloride solution. Nano sized ITO powder with an average particle size below 30 nm are generated from these raw material solutions by spray pyrolysis process. Also, in this study, thermodynamic equations for the formation of indium-tin oxide (ITO) are established. As the reaction temperature increased from $800^{\circ}C$ to $900^{\circ}C$, the proportion and size of the spherical droplet shape in which nano sized particles aggregated gradually decreased, and the surface structure gradually became densified. When the reaction temperature was $800^{\circ}C$, the average particle size of the generated powder was about 20 nm, and no significant sintering was observed. At a reaction temperature of $900^{\circ}C$, the split of the droplet was more severe than at $800^{\circ}C$, and the rate of maintenance of the initial atomized droplet shape decreased sharply. The average particle size of the powder formed was about 25 nm. The ITO particles were composed of single solid crystals, regardless of reaction temperature. XRD analysis showed that only the ITO phase was formed. Remarkably, the specific surface area decreased by about 30% as the reaction temperature increased from $800^{\circ}C$ to $900^{\circ}C$.

• Journal of the Korean Chemical Society
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• v.55 no.1
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• pp.70-80
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• 2011

Two new palladium (II) complexes, [Pd (phen)(pip-dtc)]$NO_3$ and [Pd(phen)(mor-dtc)]$NO_3$, (where phen is 1,10-Phenantroline, pip-dtc is piperidinedithiocarbamate anion and mor-dtc is morpholinedithiocarbamate anion) have been synthesized and characterized by elemental analysis, spectroscopic studies (FT-IR, $^1H$ NMR, UV-Vis) and conductance measurement. In these complexes, the dithiocarbamate ligands coordinate with Pd (II) center as bidentate with two sulfur atoms. These two complexes have been tested against chronic myelogenous leukemia cell line, K562. They show $IC_{50}$ values less than cisplatin and thus the mode of binding of the complexes to calf thymus DNA (CT-DNA) were investigated by ultraviolet difference and fluorescence spectroscopy. They can denature DNA, exhibit cooperative binding and intercalate into DNA. Several binding and thermodynamic parameters are also described.

• Journal of the Korean Chemical Society
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• v.55 no.4
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• pp.612-619
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• 2011

Lanthanide(III) complexes of 1,2-diphenyl-4-butyl-3,5-pyrazolidinedione(phenylbutazone, PB) have been synthesized and characterized by elemental analyses, molar conductance measurements, IR, UV-Vis. and NMR spectra. The spectral data reveal that the PB acts as a bidentate and mono-ionic ligand coordinating through both the carbonyl oxygens of the pyrazolidinedione ring. The molar conductance data suggest that the complexes are non-electrolytes. The thermal behaviour of the complexes was studied by TG and DTG in air atmosphere and the results provide information about dehydration, thermal stability and thermal decomposition. The final products are found to be the corresponding metal oxides. The thermodynamic parameters and kinetic parameters were evaluated for the dehydration and decomposition stages. The negative entropy values of the decomposition stages indicate that the activated complexes have a more ordered structure than the reactants and that the reactions are slower than normal. Based on these studies, the complexes have been formulated as $[Ln(PB)_3]{\cdot}5H_2O$(Ln=La and Ce) and $[Ln(PB)_3(H_2O)_2]{\cdot}2H_2O$(Ln=Pr, Nd and Sm).

• Journal of the Korean Society of Safety
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• v.11 no.4
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• pp.143-150
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• 1996

This is an explicit-Implicit, finite element analysis for linear as well as nonlinear hygrothermal stress problems. Additional features, such as moisture diffusion equation, crack element and virtual crack extension(VCE ) method for evaluating J-integral are implemented in this program. The Linear Elastic Fracture Mechanics(LEFM) Theory is employed to estimate the crack driving force under the transient condition for and existing crack. Pores in materials are assumed to be saturated with moisture in the liquid form at the room temperature, which may vaporize as the temperature increases. The vaporization effects on the crack driving force are also studied. The Ideal gas equation is employed to estimate the thermodynamic pressure due to vaporization at each time step after solving basic nodal values. A set of field equations governing the time dependent response of porous media are derived from balance laws based on the mixture theory Darcy's law Is assumed for the fluid flow through the porous media. Perzyna's viscoplastic model incorporating the Von-Mises yield criterion are implemented. The Green-Naghdi stress rate is used for the invariant of stress tensor under superposed rigid body motion. Isotropic elements are used for the spatial discretization and an iterative scheme based on the full newton-Raphson method is used for solving the nonlinear governing equations.

• Journal of the Korean Institute of Gas
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• v.25 no.4
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• pp.10-18
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• 2021

CO₂ storage technology in an aquifer is one of the most effective way to decrease global warming due to a high storage capacity and economics. A demonstration-scale offshore CO₂ storage project was performed in a geological deep aquifer in the Pohang Basin, Korea for a technological development of large-scale CO₂ storage. A challenging issue in the early design stage of the project was to establish the proper injectivity during CO₂ injection. To solve this issue, injection conditions were calculated by calculating injection rate, pressure, temperature, CO₂ phase change, and thermodynamic properties. For this study, we simulated and numerically analyzed CO₂ phase change from gas to supercritical phase and flow behavior in transport piping and injection tubing using OLGA program. Our results provide the injectivity conditions of CO₂ injection system combined with a bottomhole pressure of an aquifer.

• Transactions of the Korean hydrogen and new energy society
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• v.33 no.6
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• pp.786-794
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• 2022

Green ammonia is a promising renewable energy carrier. Green ammonia can be used in various energy conversion devices (e.g., engine, fuel cell, etc.). Ammonia has to be fed with hydrogen for start-up and failure protection of some energy conversion devices. Ammonia can be converted into hydrogen by decomposition and partial oxidation. Especially, partial oxidation has the advantages of fast start-up, thermally self-sustaining operation and compact size. In this paper, thermodynamics, start-up and operation characteristics of ammonia partial oxidation were investigated. O₂/NH₃ ratio, ammonia flow rate and catalyst volume were varied as operation parameters. In thermodynamic analysis, ammonia conversion was maximized in the O₂/NH₃ range from 0.10 to 0.15. Ammonia partial oxidation reactor was successfully started using 12 V glow plug. At 0.13 of O₂/HN₃ ratio and 10 LPM of ammonia flow rate, ammonia partial oxidation reactor showed 90% of ammonia conversion over commercial Ru catalyst. In addition, Increasing O₂/NH₃ ratio from 0.10 to 0.13 was more effective for high ammonia conversion than increasing catalyst volume at 0.10 of O₂/NH₃.

• Korean Chemical Engineering Research
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• v.61 no.3
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• pp.388-393
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• 2023

The analysis of engineering data using neural network based on supervised learning has been utilized in various engineering fields such as optimization of chemical engineering process, concentration prediction of particulate matter pollution, prediction of thermodynamic phase equilibria, and prediction of physical properties for transport phenomena system. The supervised learning requires training data, and the performance of the supervised learning is affected by the composition and the configurations of the given training data. Among the frequently observed engineering data, the data is given in log-scale such as length of DNA, concentration of analytes, etc. In this study, for widely distributed log-scaled training data of virtual 100×100 images, available loss functions were quantitatively evaluated in terms of (i) confusion matrix, (ii) maximum relative error and (iii) mean relative error. As a result, the loss functions of mean-absolute-percentage-error and mean-squared-logarithmic-error were the optimal functions for the log-scaled training data. Furthermore, we figured out that uniformly selected training data lead to the best prediction performance. The optimal loss functions and method for how to compose training data studied in this work would be applied to engineering problems such as evaluating DNA length, analyzing biomolecules, predicting concentration of colloidal suspension.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.34 no.2
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• pp.73-77
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• 2024

The spinel-type oxide (Ni_x, Mn_y, Co_3-x-y)O₄ (NMC) is widely utilized as a material for temperature sensors with a negative temperature coefficient (NTC), finding applications across various industries including electric vehicle battery management systems. Typically, NMC is manufactured using solid-state reaction methods employing powders of Ni, Mn, and Co compounds, with the densification process through sintering recognized as a crucial factor determining the electrical properties of the temperature sensor material. In this study, NMC pellets were synthesized via solid-state reaction and their crystallographic and microstructural characteristics were investigated. Also, the activation energy for densification behavior during the sintering process was determined. According to the analysis results, the room temperature resistance of the NMC pellets was measured at 10.03 Kohm, with the sensitivity parameter, B-value, recorded at 3601.8 K, indicating their potential applicability as temperature sensors across various industrial fields. Furthermore, the activation energy for densification was found to be 273.3 ± 0.4 kJ/mol, providing valuable insights into the thermodynamic aspects of the sintering process of the NMC.