• Korean Chemical Engineering Research
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• v.54 no.5
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• pp.659-664
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• 2016

In order to resolve the AAEM species migration routes and the interaction relationship between biochar structure and AAEM species during biomass pyrolysis, experiments were performed in an entrained flow reactor with $N_2$ at $500{\sim}900^{\circ}C$. ICP-AES, XPS and SEM-EDX were used to examine content and distribution of AAEM species and the physicochemical structures of biochar. The results show that at $500{\sim}700^{\circ}C$, the precipitation rate of AAEM species is relatively high. At high temperature (>$700^{\circ}C$), the AAEM species continue to migrate from interior to exterior, but little precipitation from biochar surface. And the migration of AAEM species is mainly realized by the C-O bond as the carrier medium. The AAEM species on biochar surface are mainly Na, Mg and Ca (<$700^{\circ}C$), while changing to K, Mg and Ca (${\geq}700^{\circ}C$). From $500^{\circ}C$ to $900^{\circ}C$, the biochar particle morphology gradually changes from fibers to porous structures, finally to molten particles. At $700{\sim}900^{\circ}C$, Ca element is obviously enriched on the molten edge of the biochar porous structures.

• Bulletin of the Korean Chemical Society
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• v.26 no.4
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• pp.641-644
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• 2005

Nucleophilic addition reactions of benzylamines $(XC_6H_4CH_2NH_2)\;to\;{\beta}$-cyanostilbenes ($YC_6H_4CH=C(CN)C_6H_4$Y’) have been studied in acetonitrile at 30.0 oC. A greater degree of N-$C_{\alpha}$ bond formation (larger ${\beta}_X$) is obtained with a stronger electron-withdrawing substituent in either ${\alpha}-\;(\delta\sigma_Y\;{\gt}\;0)\;or\;{\beta}-ring\;(\delta\sigma_{Y'}\;{\gt}$ 0). A stronger charge development is observed in the TS on $C_{\beta}\;(\rho_{Y'}$= 1.06 for X=Y=H) rather than on $C_{\alpha}\;(\rho_{Y}$ = 0.62 for X=Y’H) indicating the lag in the resonance development into the activating group (CN) on $C_{\beta}$ in the transition state. Similarly, the magnitude of $\rho$$_{XY'}$(−0.72) is greater than $\rho_{XY}$ (−0.66) due to a stronger interaction of the nucleophile with $\beta$-ring than $\alpha$-ring. The positive sign of $\rho_{YY'}$correctly reflects $\pi$ bond cleavage between the two rings in the TS. Relatively large kinetic isotope effects ($k_H/k_D\;{\geq}$ 2.0) involving deuterated nucleophiles ($XC_6H_4CH_2ND_2$) suggest a four-membered cyclic TS in which concurrent N-C$_{\alpha}$ and H(D)-C$_{\beta}$ bond formation occurs.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.249-251
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• 1991

• Bulletin of the Korean Chemical Society
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• v.27 no.6
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• pp.821-829
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• 2006

A series of catalysts, $NiO/La_2O_3-ZrO_2/WO_3$, for acid catalysis was prepared by the precipitation and impregnation methods. For the $NiO/La_2O_3-ZrO_2/WO_3$ samples, no diffraction lines of nickel oxide were observed, indicating good dispersion of nickel oxide on the catalyst surface. The catalyst was amorphous to X-ray diffraction up to 300 ${^{\circ}C}$ of calcination temperature, but the tetragonal phase of $ZrO_2$ and monoclinic phase of $WO_3$ by the calcination temperatures from 400 ${^{\circ}C}$ to 700 ${^{\circ}C}$ were observed. The role of $La_2O_3$ in the catalyst was to form a thermally stable solid solution with zirconia and consequently to give high surface area and acidity. The high acid strength and high acidity were responsible for the W=O bond nature of complex formed by the modification of $ZrO_2$ with $WO_3$. For 2-propanol dehydration the catalyst calcined at 400 ${^{\circ}C}$ exhibited the highest catalytic activity, while for cumene dealkylation the catalyst calcined at 600 ${^{\circ}C}$ showed the highest catalytic activity. 25-$NiO/5-La_2O_3-ZrO_2/15-WO_3$ exhibited maximum catalytic activities for two reactions due to the effects of $WO_3$ modifying and $La_2O_3$ doping.

• Bulletin of the Korean Chemical Society
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• v.22 no.11
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• pp.1231-1235
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• 2001

Pseudotetragonal ZrO0.75S whose space group is P212121 was synthesized and the cell dimensions were a=5.110(2) $\AA$, b=5.110(7) $\AA$, and c=5.198(8) $\AA.$ The space group P212121 seems to be resulted from lowering the symmetry of cubic ZrOS structure with P213 space group by lattice distortion due to the oxygen defects. In the distorted structure, bond shortening between metal-nonmetal by reduction of cell volume and alternation of Zr-Zr distance were observed. Dielectric constant and loss data of the bulk material in temperature range -170 to 20 $^{\circ}C$ and frequency range 50 Hz to 1 MHz showed that there was dielectric transition at around -70 $^{\circ}C$ originated from the relaxation of Zr-S segment. Comparing with ZrO2 exhibited the dielectirc constants, 9.0 at room temperature, ZrO0.75S showed high dielectric constant, k = 200.2 at 100 kHz. The activation energy of relaxation time due to dielectric relaxation of Zr-S was 0.47 eV (11.3 kcal/mole). According to the impedance spectra, ZrO0.75S showed more parallel circuit character between the resistance and capacitance components at the temperature (-70 $^{\circ}C)$ that the Zr-S dielectric relaxation was observed.

• Bulletin of the Korean Chemical Society
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• v.20 no.12
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• pp.1493-1500
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• 1999

The electronic transitions from the ground state to low-lying excited states of CF₃OH have been investigated using high level ab initio quantum mechanical techniques. Also the possible photodissociation procedures of CF₃OH have been considered. The highest level employed in this study is TZP CCSD(T) level of theory. The possible four low-lying excited states can result by the excitation of the lone pair electron (n) in oxygen to σ$^*$ molecular orbital in C-O or O-H bond. The vertical transition (n → σ$^*$) energy is predicted to be 220.5 kcal/mol (130 nm) at TZ2P CISD level to theory. The bond dissociation energies of CF₃OH to CF₃O +H and CF₃+OH have been predicted to be 119.5 kcal/mol and 114.1 kcal/mol, respectively, at TZP CCSD level of theory. In addition, the transition state for the unimolecular decomposition of CF₃OH into CF₂O + HF has been examined. The activation energy and energy separation for this decomposition have been computed to be 43.6kcal/mol and 5.0 kcal/mol including zero-point vibrational energy corrections at TZP CCSD(T) level of theory.ed phenols were also estimated.

• Journal of Dental Rehabilitation and Applied Science
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• v.23 no.3
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• pp.249-257
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• 2007

State of problem : The use of zirconium oxide all-ceramic material provides several advantages, including a high flexural strength(>1000MPa) and desirable optical properties, such as shading adaptation to the basic shades and a reduction in the layer thickness. Along with the strength of the materials, the cementation technique is also important to the clinical success of a restoration. Nevertheless, little information is available on the effect of different surface treatments on the bonding of zirconium high-crystalline ceramics and resin luting agents. Purpose : The aim of this study was to test the effects of surface treatments of zirconium on shear bond strengths between bovine teeth and a zirconia ceramic and evaluate differences among cements Material and methods : 54 sound bovine teeth extracted within a 1 months, were used. They were frozen in distilled water. These were rinsed by tap water to confirm that no granulation tissues have left. These were kept refrigerated at $4^{\circ}C$ until tested. Each tooth was placed horizontally at a plastic cylinder (diameter 20mm), and embedded in epoxy resin. Teeth were sectioned with diamond burs to expose dentin and grinded with #600 silicon carbide paper. To make sure there was no enamel left, each was observed under an optical microscope. 54 prefabricated zirconium oxide ceramic copings(Lava, 3M ESPE, USA) were assigned into 3 groups ; control, airborne-abraded with $110{\mu}m$ $Al_2O_3$ and scratched with diamond burs at 4 directions. They were cemented with a seating force of 10 ㎏ per tooth, using resin luting cement(Panavia $F^{(R)}$), resin cement(Superbond $C&B^{(R)}$), and resin modified GI cement(Rely X $Luting^{(R)}$). Those were thermocycled at $5^{\circ}C$ and $55^{\circ}C$ for 5000 cycles with a 30 second dwell time, and then shear bond strength was determined in a universal test machine(Model 4200, Instron Co., Canton, USA). The crosshead speed was 1 mm/min. The result was analyzed with one-way analysis of variance(ANOVA) and the Tukey test at a significance level of P<0.05. Results : Superbond $C&B^{(R)}$ at scratching with diamond burs showed the highest shear bond strength than others (p<.05). For Panavia $F^{(R)}$, groups of scratching and sandblasting showed significantly higher shear bond strength than control group(p<.05). For Rely X $Luting^{(R)}$, only between scratching & control group, significantly different shear bond strength was observed(p<.05). Conclusion : Within the limitation of this study, Superbond $C&B^{(R)}$ showed clinically acceptable shear bond between bovine teeth & zirconia ceramics regardless of surface treatments. For the surface treatment, scratching increased shear bond strength. Increase of shear bond strength by sandblasting with $110{\mu}m$ $Al_2O_3$ was not statistically different.

• Journal of the Korean Ceramic Society
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• v.56 no.2
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• pp.191-196
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• 2019

This study assessed the feasibility of a Ti₃AlC₂ MAX phase as an Al-source for the formation of a mullite bond in the fabrication of porous SiC tubes with high strength. The as-received Ti₃AlC₂ was partially oxidized at 1200℃ for 30 min before using to minimize the abrupt volume expansion caused by oxidation during sintering. Thermal treatment at 1100-1400℃ for 3 h in air led to the formation of Al₂O₃ by the decomposition of Ti₃AlC₂, which reacted further with oxidation-derived SiO₂ on the SiC surface to form a mullite phase. The fabricated porous SiC tubes with a relative density of 48 - 62 % exhibited mechanical strengths of 80 - 200 MPa, which were much higher than those with the Al₂O₃ filler material. The high mechanical strength of the Ti₃AlC₂-added porous SiC was explained by the rigid mullite neck formation along with the retained Ti₃AlC₂ with good mechanical properties.

• Journal of the Korean Chemical Society
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• v.19 no.6
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• pp.449-453
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• 1975

Substituent effect of the leaving groups of the reaction of benzyl arenesulfonate with dimethylanilines in acetone at $35^{\circ}C$ was obtained with the following results. 1. Substituent effect of the leaving groups was not variable when changed from pyridine to N,N-dimethylaniline in nucleophile 2.In acetone, the Hammett ${\sigma}$ constant of p-MeO of the leaving group was -0.35. 3. The weaker the nucleophilicity in dimethylaniline, the stronger the movement of electron from N to C, and the cleavage of the C${\ldots}$0 bond in transition state proceeds.

• Korean Chemical Engineering Research
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• v.44 no.6
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• pp.597-601
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• 2006

The degradation of the Nafion membrane by oxygen radical (OH, $HO_2$) was investigated in Polymer electrolyte membrane fuel cell (PEMFC). Nafion membrane was degraded in Fenton solution consisted with hydrogen peroxide (10-30％) and ferrous ion (1-4 ppm) at $80^{\circ}C$. After degradation in Fenton solution, C-F, S-O and C-O chemical bonds of membrane were broken by oxygen radical attack. Breaking of C-F bond reduced the mechanical strength of Nafion membrane, and hence induced pinholes, resulting in increase of $H_2$ crossover through the membrane. Decomposition of S-O and C-O bonds decreased the ion exchange capacity of the electrolyte membrane. The performance of unit cell composed the membrane, which was degraded in 30％ $H_2O_2$ with 4ppm $Fe^{2+}$ solution for 48 hr, was about half times as low as one with normal membrane.