• Bulletin of the Korean Chemical Society
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• v.31 no.1
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• pp.100-103
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• 2010

In this study, NO reduction behaviors of copper-loaded mesoporous molecular sieves (Cu/MCM-41) have been investigated. The Cu loading on MCM-41 surfaces was accomplished by a chemical reduction method with different Cu contents (5, 10, 20, and 40%). $N_2/77$ K adsorption isotherm characteristics, including the specific surface area and pore volume, were studied by BET's equation. NO reduction behaviors were confirmed by a gas chromatography. From the experimental results, the Cu loading amount on MCM-41 led to the increase of NO reduction efficiency in spite of decreasing the specific surface area of catalysts. This result indicates that highly ordered porous structure in the MCM-41 and the presence of active metal particles lead the synergistical NO reduction reactions due to the increase in adsorption energy of MCM-41 surfaces by the Cu particles.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.29 no.1 s.232
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• pp.131-138
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• 2005

Thermo-osmosis of liquids in a microscale channel is investigated by theoretical and simulation study. From the basic set of conservation equations, the temperature and velocity distributions are derived in the function of the given temperatures and pressure gradient. The pressure gradient for a given temperature gradient is then obtained by the molecular simulation. It is shown that the temperature gradient tangential to the surface induces the pressure gradient and thus the flow in the interfacial region between the liquid and channel surface. The thermo-osmotic flow is proportional to the applied temperature gradient, and the factor of proportionality depends on temperature and intermolecular potential. The origin and characteristics of the phenomenon are discussed in molecular details.

• Korean Journal of Materials Research
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• v.14 no.2
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• pp.157-162
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• 2004

The object of this research is to develop a carbon molecular sieve(below CMS) which can separate selectively to convert mixture gases spout at waste landfill into fuel. And this research is meaningful from the viewpoint of a quality improvement of CH$_4$ gas and an utilization of by-product. CMS was prepared using coconut shell powder as starting material and the effects of activators, temperature and modifier on the reaction were investigated in this research. Also, pore diameter, surface area of CMS and adsorption rate were measured and studied by cahn balance and ASAP2010. Its specific surface area and pore distribution were controlled easily at 800^{\circ}C and adsorption rate was very good. The CMS prepared in this research is shown to be able to separate landfill gases very effectively.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1997.11a
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• pp.5-8
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• 1997

A study on the electrical conduction characteristics of the ultrathin organic films is one of the important factors for the development of molecular electronic devices. The Langmuir- Blodgett(LB) technique has recently been attracted interest as a method of the deposition ultrathin films. We hate fabricated N-docosyl N\`-methyl viologen-diTCNQ(DMVT) anion radical LB film and investigated the molecular orientation and electrical conduction characteristics. We have measured infrared transmission-reflection spectra. The alkyl chain is found to he well-ordered with the tilt angle of 13$^{\circ}$ with respect to the substrate surface normal and the TCNQ plane is tilted at 76$^{\circ}$ the surface normal. In ESR spectrum, we confirmed that a half-amplitude linewidth is clearly dependent on the incident angle, which indicates conducting species change. The in-plane conductivity of 31 lagers is approximately 1.33$\times$10$^{-6}$ S/cm. The ohmic behaviour was observed below 0.6 V, when current-voltage(I-V) characteristics was measured verically.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1999.11a
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• pp.610-612
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• 1999

In this study, we used both displacement-current method and BAM(Brewster-Angle Microscope) to study on the molecular orientation of monolayer on the water surface. The displacement-current method measured behaviors of molecules by current and BAM was shown to be sensitive to film anisotropy even when the molecules were not tilted as long as the unit cell was anisotropic. Every transition was visible with BAM technique, either as a dramatic change in decree of contrast or as a sudden alteration of the mosaic domain texture.

• Bulletin of the Korean Chemical Society
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• v.20 no.6
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• pp.715-719
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• 1999

The incorporation of cobalt into mesoporous molecular sieves MCM-41 and MCM-48 was carried out. Co-PO/MCM41 and Co-PO/MCM48 were prepared using Co(II) acetate solution adjusted to pH = 3.0 with phosphoric acid by the incipient wetness method. Photoacoustic spectroscopy (PAS) was used to study the local environments of Co(II) incorporated into mesopores. The band around 500 nm in PAS of as-prepared Co-PO/MCM41 and Co-PO/MCM48 with Co(II) acetate solution was changed to triplet bands around 600 nm. This could be assigned to the 4 A2(F)-> 4T1(P) transition of Co(II) surrounded tetrahedrally by oxygen ions after calcination. It may be attributable to that the octahedral cobalt species containing phosphate ligands in coordination sphere reacting with framework's silanol groups to be dispersed atomically onto the surface of mesoporous molecular sieves as a tetrahedral species. This is unlike that the Co in Co-Cl/MCM41 and direct-synthesized Co-MCM41 transforms to Co oxide phase upon calcination. Co-PO/MCM41 and Co-PO/MCM48 were stable while treated with water.

• Corrosion Science and Technology
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• v.21 no.1
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• pp.21-31
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• 2022

Potentiodynamic polarization, EIS measurements, quantum chemical calculations, and molecular dynamic simulations were used to investigate the corrosion behavior of mild steel in 0.5 M aqueous hydrochloric acid medium in the presence or absence of nystatin drug. Potentiodynamic tests suggested that this molecule could act as a mixed inhibitor due to its adsorption on the mild steel surface. The objective of this study was to exploit theoretical calculations to gain a better understanding mechanism of inhibition. Calculating the adsorption behavior of the investigated molecule on Fe (1 1 0) surface was accomplished using Monte Carlo simulation. Molecules were also investigated using Density Functional Theory (DFT), specifically PBE functional, in order to identify the link between molecular structure and corrosion inhibition behavior of the compound under investigation. Adsorption energies between nystatin and iron were estimated more accurately by utilizing Molecular Mechanics calculation with Periodic Boundary Conditions (PBC). Estimated theoretical parameters significantly assisted our understanding of the corrosion inhibition mechanism exhibited by this molecule. They were found to be in accord with experimental results.

• Journal of Korean Vacuum Science & Technology
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• v.6 no.1
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• pp.30-35
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• 2002

We show that a combined technique of Cs$^{+}$ reactive ion scattering (Cs$^{+}$ RIS) and low-energy secondary ion mass spectrometry (LESIMS) provides a powerful means for probing molecular films and their surface reactions. Simple molecules, including HCI, NH$_3$, D$_2$O, and their mixtures, were deposited into a thin film of several monolayer thickness on Ru(001) at low temperature in vacuum, and the surface was characterized by Cs$^{+}$ RIS and LESIMS. On pure films, D$_2$O, HCI, and NH$_3$ existed in the corresponding molecular states. When HCI and NH$_3$ were co-deposited, ammonium ion(NH$_4$$^{+}$) was readily formed by proton transfer from HCI to NH$_3$. In the presence of water molecules, HCI ionized first to hydronium ion(H$_3$O$^{+}$), which subsequently transferred proton to NH$_3$ to form NH$_4$$^{+}$. The proton transfer, however, did not occur to a completion on ice, in contrast to the complete reaction in aqueous solutions.s solutions.

• Journal of Biomedical Engineering Research
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• v.22 no.6
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• pp.519-526
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• 2001

At present. about 0.3 million and more THRs (Total Hip Replacement) in a rear are being done worldwide. The increase in mechanical failure with the increase in THR, required more revisions. Revisions compensate mainly the wear of the artificial joint frictional surface and the loosening of the cup and stem. According to recent researches, loosening is mainly due to wear debris UHMWPE (Ultra High Molecular Weight Polyethylene) from frictional surfaces . To overcome the wear problems associated with artificial joint materials , new surface structures with regular Patterns were designed and fabricated The lubrication Properties were examined to evaluate the wear of the frictional surfaces. The surface structure manifested a Pattern of "dents" with a 0.2-1.0 mm of diameter and 0.6-2.0 mm of Pitch. From the friction test of the SUS316L vs UHMWPE using the frictional tester, we found that the lubrication Performance was improved due to of drastically reduced amount of abrasion. There were optimum sizes for the diameter and the pitch of the Pattern. The results demonstrated that the lubrication properties could be improved by Patterning of the frictional surfaces. The surface Patterning was effective in preventing wear of the frictional surfaces, and the life of an artificial joint could be extended with such Patterning.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2219-2222
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• 2010

A density functional theory (DFT) study of $CO_2$ adsorption on barium oxide (BaO) adsorbents is conducted to understand the chemical activity of the oxygen site on the BaO (100) surface. This study evaluated the adsorption energies and geometries of a single $CO_2$ molecule and a pair of $CO_2$ molecules on the BaO (100) surface. A quantum calculation was performed to obtain information on the molecular structures and molecular reaction mechanisms; the results of the calculation indicated that $CO_2$ was adsorbed on BaO to form a stable surface carbonate with strong chemisorption. To study the interactive $CO_2$ adsorption on the BaO (100) surface, a pair of $CO_2$ molecules was bound to neighboring and distant oxygen sites. The interactive $CO_2$ adsorption on the BaO surface was found to slightly weaken the adsorption energy, owing to the interaction between $CO_2$ molecules.