• Korean Chemical Engineering Research
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• v.45 no.5
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• pp.479-486
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• 2007

Four point bending is used to study the dependences of bond strength of benzocyclobutene(BCB) bonded wafers and BCB thickness, the use of an adhesion promoter, and the materials being bonded. The bond strength depends linearly on BCB thickness, due to the thickness-dependent contribution of the plastic dissipation energy of the BCB and thickness independence of BCB yield strength. The bond strength increases by about a factor of two with an adhesion promoter for both $2.6{\mu}m$ and $0.4{\mu}m$ thick BCB, because of the formation of covalent bonds between adhesion promoter and the surface of the bonded materials. The bond strength at the interface between a silicon wafer with deposited oxide and BCB is about a factor of three higher than that at the interface between a glass wafer and BCB. This difference in bond strength is attributed to the difference in Si-O bond density at the interfaces. At the interfaces between plasma enhanced chemical vapor deposited (PECVD) oxide coated silicon wafers and BCB, and between thermally grown oxide on silicon wafers and BCB, 12~13 and $15{\sim}16bonds/nm^2$ need to be broken. This corresponds to the observed bond energies, $G_0s$, of 18 and $22J/m^2$, respectively. Maximum 7~8 Si-O $bonds/nm^2$ are needed to explain the $5J/m^2$ at the interfaces between glass wafers and BCB.

• Korean Journal of Materials Research
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• v.20 no.9
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• pp.478-482
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• 2010

A series of molecular dynamic (MD), finite element (FE) and ab initio simulations are carried out to establish suitable modeling schemes for the continuum-based analysis of aluminum matrix nanocomposites reinforced with carbon nanotubes (CNTs). From a comparison of the MD with FE models and inferences based on bond structures and electron distributions, we propose that the effective thickness of a CNT wall for its continuum representation should be related to the graphitic inter-planar spacing of 3.4${\AA}$. We also show that shell element representation of a CNT structure in the FE models properly simulated the carbon-carbon covalent bonding and long-range interactions in terms of the load-displacement behaviors. Estimation of the effective interfacial elastic properties by ab initio simulations showed that the in-plane interfacial bond strength is negligibly weaker than the normal counterpart due to the nature of the weak secondary bonding at the CNT-Al interface. Therefore, we suggest that a third-phase solid element representation of the CNT-Al interface in nanocomposites is not physically meaningful and that spring or bar element representation of the weak interfacial bonding would be more appropriate as in the cases of polymer matrix counterparts. The possibility of treating the interface as a simply contacted phase boundary is also discussed.

• Journal of Technologic Dentistry
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• v.26 no.1
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• pp.35-40
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• 2004

In order to understand alloying effects on the corrosion resistance of Ti-(10$\sim$20)%Zr-(2$\sim$8%)Nb-0.2%Pd alloys, Polarization curves were measured at 5%HCI solution. The results were interpreted in terms of two parameters obtained by the molecular orbital calculation ; one is the bond order($B_{\circ}$) and the other is the metal d-orbital level($M_{d}$). $B_{\circ}$ is a measure of the strength of covalent bonds between titanium and alloying elements. $M_{d}$ is correlative with the electronegativity of elements. It was found that increasing of Zr and Nb with higher $B_{\circ}$ values showed a lower critical anodic current density in the polarization curve and hence higher corrosion resistance. On the other hand, increasing of Zr and Nb with higher $M_{d}$ values showed a higher corrosion resistance.

• Carbon letters
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• v.5 no.1
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• pp.12-17
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• 2004

In this study, the oxyfluorination of PAN-based carbon fibers was undertaken at room temperature using fluorine-oxygen mixtures, and the influence of oxyfluorination on properties was investigated. The surface characteristics of the modified fiber were determined by using X-ray photoelectron spectroscopy (XPS) and dynamic contact angle analyzer. The oxyfluorination of carbon fibers was one of the more effective methods to increase surface wettability by the formation of semicovalent C-F bond and C-O bond depending on reaction conditions. When oxygen mole fraction is increased from 0.5 to 0.9, it is probable that attached fluorine atoms at the surface of the fibers reacted with other components. As increased oxyfluorination time and decreased its pressures, semi-covalent peak is increased at 0.5 of oxygen mole fraction. The total surface free energy of oxyfluorinated carbon fibers decreased with increasing oxygen mole fraction over 0.5. These results indicate that the surface of carbon fibers became much more hydrophilic after the short oxyfluorination. The surface free energy of oxyfluorinated carbon fibers progressively decreased after 10 min treatment. The polar components of surface free energies were however, significantly higher for all oxyfluorinated samples than that for the untreated carbon fiber.

• Bulletin of the Korean Chemical Society
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• v.24 no.8
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• pp.1215-1218
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• 2003

An analysis of the bonding situation in CaM₂P₂ (M=Fe, Ni) with ThCr₂Si₂ structure is made in terms of DOS and COOP plots. The main contributions to covalent bonding are due to M-P and P-P interactions in both compounds. Particularly, the interlayer P-P bonding by variation in the transition metal is examined in more detail. It turns out that the shorter P-P bonds in CaNi₂P₂ form as a result of the decreasing electron delocalization into ${{\sigma}_p}^*$ of P₂ due to the weaker bonding interaction between the metal d and ${{\sigma}_p}^*$ as the metal d band is falling from Fe to Ni.

• 한국생물공학회:학술대회논문집
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• 2001.11a
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• pp.671-674
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• 2001

Cyclodextrin glucanotransferase(CGTase) derived from recombinant Bacillus subtilis was partial purified and concentrated by ultrafiltration. The prepared CGTase were immobilized on various matrices by ionic interaction or covalent bond. CGTase covalently bound on CNBr-activated sepharose 4B were identified to be the highest immobilization activity among various immobilization methods. The optimum conditions for CGTase immobilization were determined; $30^{\circ}C$, 6Orpm, using O.2g CNBr-activated sepharose 4B in pH 6.0 phosphate buffer and 9hr immobilization.

• Journal of the Korean Chemical Society
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• v.45 no.6
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• pp.546-548
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• 2001

Neat chlorosulfonic acid reacts with silica gel to give silica sulfuric acid in which sulfuric acid is immobilized on the surface of silica gel via covalent bond. A combination of silica sulfuric acid and wet SiO$_2$ was used as an effective deacetalizating agent for the conversion of acetals to their corresponding carbonyl derivatives by using microwave irradiation under solvent free conditions.

• Transactions of the Korean hydrogen and new energy society
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• v.25 no.6
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• pp.602-608
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• 2014

The sequence of bond overlap population of metal hydrogen binding is in Al-H > Fe-H > Zr-H > V-H. This results shows the binding energy of Al-H is the biggest in this metals (Al, Fe, Zr, and V) and hydrogen interaction. The Vanadium-hydrogen binding shows the weakest binding energy compared to other metals and it causes easy hydrogen desorption from the corresponding metals. The net charge of Al-H show the biggest value of 0.2248 and the severe localizations of electrons around aluminum and imply strongest covalent binding nature in these metals. This study is applicable to the purification of hydrogen in other bulk gas.

• Textile Coloration and Finishing
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• v.5 no.3
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• pp.173-181
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• 1993

Dyeing cotton fabric with direct dye (C. I. Direct Blue 15) by redox sytem of ammonium persulfate as an oxidant and glucose as reductant was studied. It was found that covalent bond between dye and cellulose molecule can be formed by free radical produced by the redox system in the dye bath, which enhanced significantly the color strength. The retained color strength after DMF extraction was much better in the presence than in the absence of the redox sytem. The optimum dyeing condition was 0.028 mol/$\ell$(APS/Glucose each) of redox concentration, 65$^{\circle}C$ of dyeing temperature and 60min of dyeing time. The color variation on the dyed sample had not been observed as a result of fixed ${\lambda}_max$.

• Macromolecular Research
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• v.17 no.4
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• pp.227-231
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• 2009

New polyelectrolytes derived from poly(amide-sulfone)s and 1,5-dibromopentane were simultaneously fabricated on the electrode by the crosslinking reaction. The substrate was pretreated with a bromoalkyl-containing, silane-coupling agent to anchor the humidity-sensitive membrane to the substrate through the covalent bond. When the resistance dependence on the relative humidity of the crosslinked poly(amide-sulfone)s was measured, the resistance varied by three orders of magnitude between 20%RH and 90%RH, which was the required RH range for a humidity sensor operating at ambient humidity. Their water durability, long-term stabilities under various environments, hysteresis and response and recovery times were measured and evaluated as a humidity-sensing membrane.