• Bulletin of the Korean Chemical Society
• /
• v.32 no.2
• /
• pp.515-518
• /
• 2011

We investigated how temperature influences the structural and energetic dynamics of carbon nanotubes (CNTs) undergoing a high-speed impact with a Si (110) surface. By performing molecular dynamics simulations in the temperature range of 100 - 300 K, we found that a low temperature CNT ends up with a higher vibrational energy after collision than a high temperature CNT. The vibrational temperature of CNT increases by increasing the surface temperature. Overall, the structural and energy relaxation of low temperature CNTs are faster than those of high temperature CNTs.

• Transactions of the Korean Society of Mechanical Engineers B
• /
• v.33 no.8
• /
• pp.559-564
• /
• 2009

The variation in the shape of water droplet moving on atomistically smooth solid surface in the presence of a constant body force is simulated using molecular dynamics simulation. We investigated how the advancing and receding contact angle of the moving water droplet changes on a solid surface having various characteristic energies. From the MD simulation results, we obtained the density profile defined as the number of water molecules at a given position. Then, assuming the water droplet periphery to be a circle, we calculated the contact angles by using a nonlinear fitting of the half-density contour line. The present simulation clearly shows the different profile of the advancing and receding contact angle for these three different interaction potential between the water droplet and the solid surface.

• Journal of the Korean institute of surface engineering
• /
• v.25 no.3
• /
• pp.144-149
• /
• 1992

The adsorption and molecular sieve characteristics of water, methanol, ethanol, butanol and benzene on acid-alkali treated natural zeolite from Kampo area were investigated by the Diamond·Kinter method, and it was compared with synthetic zeolite A. Adsorption amount of water increased with the treatment of acid rather than the treatment of alkali. Similar tendency was observedd in adsorption of alcohols such as methanol, ethanol and butanol, but the amount of adsorption decreased. From the views of the molecular size, adsorption amount of benzene decreased because of surface activity according to the cations species rather than chemical treatment. And it was almost same value that the amount of adsorption was compared acid treated natural zeolite with synthetic zeolite A.

• Journal of the Korean institute of surface engineering
• /
• v.26 no.6
• /
• pp.285-290
• /
• 1993

A series of samples were prepared by treating natural zeolite from Kampo area with HCl and NaOH. And, the adsorption characteristics of some liquid samples were investigated by the Diamond-Kinter method. The adsorption amount of all liquid investigated was more effective in acid treatment than in alkali treatment. In the case of n-, iso-C3H7OH, thed adsorption amount of n-form which has smaller molecular size was larger. Similar tenedncy was observed in n-, iso-C4H9OH, but the amount was lower than n-, iso-C3H7OH. In CHCl3 and CCl4, that of CHCl, which is smaller molecular size and has polarity, was far lager. From the view of the molecular size, adsorption amount of C6H5CH3 and p-C6H4(CH3)2 showed the characteristics of surface activity rather than chemical treatment.

• Current Applied Physics
• /
• v.18 no.12
• /
• pp.1528-1533
• /
• 2018

The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2012.02a
• /
• pp.419-419
• /
• 2012

We fabricated the Polyamide 4,6 (PA46) thin film using Adipoyl chloride and 1,4-butadiamine. PA46 film was grown at $70^{\circ}C$ by Molecular Layer Deposition (MLD) method. MLD is sequential and self-terminating fabrication method for organic thin film. The growth rate of PA46 is $3.5{\acute{\AA}}$ cycle. The thickness of PA46 film was measured by Ellipsometer. Surface morphology of this film was investigated by Atomic Force Microscopy (AFM) and roughness is directly proportional to number of growing cycles.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.08a
• /
• pp.65.1-65.1
• /
• 2013

Icy dust particles in interstellar clouds are considered to play a catalytic role in molecular evolution in space. Atoms and simple molecules constituting the ice mantles of dust particles may be transformed into more complex molecules under the irradiation of UV and cosmic rays. This seminar will present our recent study results for chemistry of ice surfaces, with the emphases on the mechanistic features of elementary reactions and the implications for interstellar molecular evolution. The types of reactions studied include molecule diffusion in ice, proton and hydroxide transfers, and some UV-induced reactions wih astrobiological relevance.

• Bulletin of the Korean Chemical Society
• /
• v.7 no.1
• /
• pp.55-58
• /
• 1986

Analytical capability of surface-enhanced Raman scattering has been evaluated. Silver films prepared by homogeneous chemical reduction were used as the substrate. Detection limits for p-nitrobenzoic acid, thiophenol and rhodamine 6G were around $10{\sim}100\;pg$.

• Proceedings of the KSME Conference
• /
• 2005.11a
• /
• pp.234.2-234.2
• /
• 2005

• Membrane and Water Treatment
• /
• v.1 no.1
• /
• pp.83-92
• /
• 2010

To improve the antifouling characteristics of polypropylene hollow fiber microporous membranes in a submerged membrane-bioreactor for wastewater treatment, the surface-modification was conducted by Ar plasma treatment. Surface hydrophilicity was assessed by water contact angle measurements. The advancing and receding water contact angles reduced after the surface modification, and hysteresis between the advancing and receding water contact angles was enlarged after Ar plasma treatment due to the increased surface roughness after surface plasma treatment. After continuous operation in a submerged membrane-bioreactor for about 55 h, the flux recovery after water cleaning and the flux ratio after fouling were improved by 20.0 and 143.0%, while the reduction of flux was reduced by 28.6% for the surface modified membrane after 1 min Ar plasma treatment, compared to those of the unmodified membrane. Morphological observations showed that the mean membrane pore size after Ar plasma treatment reduced as a result of the deposition of the etched species; after it was used in the submerged membrane-bioreactor, the further decline of the mean membrane pore size was caused by the deposition of foulants. X-ray photoelectron spectroscopy and infrared spectroscopy confirmed that proteins and polysaccharide-like substances were the main foulants in the precipitate.