• Journal of the Korean Electrochemical Society
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• v.11 no.4
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• pp.227-241
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• 2008

This article involves a unified treatment of equilibrium thermodynamics of the chemical reaction coupled with other interfacial (phase boundary) reactions. The modified (restrictive) chemical potential ${\mu}_k^+$, such as electrochemical potential, hydrostatic-chemical (mechanochemical) potential (exceptionally in the presence of the pressure difference) and surface-chemical potential, was first introduced under the isothermal and isobaric conditions. This article then enlightened the equilibrium conditions in case where the release of chemical energy is counterbalanced by the supply of electrical energy, by the supply of hydrostatic work (exceptionally in the presence of ${\Delta}p$), and finally by the release of surface energy, respectively, at constant temperature T and pressure p in terms of the modified chemical potential ${\mu}_k^+$. Finally, this paper focussed on the difference between chemical and electrochemical equilibria based upon the fundamentals of the isothermal and isobaric equilibrium conditions described above.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.264.2-264.2
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• 2013

Molecular layer deposition (MLD) is sequential, self-limiting surface reaction to form conformal and ultrathin polymer film. This technique generally uses bifunctional precursors for stepwise sequential surface reaction and entirely organic polymer films. Also, in comparison with solution-based technique, because MLD is vapor-phase deposition based on ALD, it allows epitaxial growth of molecular layer on substrate and is especially good for surface reaction or coating of nanostructure such as nanopore, nanochannel, nanwire array and so on. In this study, polyurea film that consisted of phenylenediisocyanate and phenylenediamine was formed by MLD technique. In situ Fourier Transform Infrared (FTIR) measurement on high surface area SiO2 substrate was used to monitor the growth of polyurethane and polyurea film. Also, to investigate orientation of chemical bonding formed polymer film, plan-polarized grazing angle FTIR spectroscopy was used and it showed epitaxial growth and uniform orientation of chemical bones of polyurea films.

• Bulletin of the Korean Chemical Society
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• v.18 no.2
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• pp.149-151
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• 1997

Barrier height on the surface was monitored at 77 K by observing the inflection of V-I characteristics of ZnO(1010)-ZnO(1010) contact in the surface reaction of oxygen species with carbon monoxide. The contact showed inflections at 10-20 mV and 10-50 mV for the sample adsorbed oxygen at 298 K and 573 K, respectively. When the sample adsorbed oxygen at 573 K was exposed to carbon monoxide at 298 K and 573 K, inflections were observed at 10-40 mV and 10-30 mV, respectively. The results indicated that the adsorption of oxygen on ZnO increased the surface barrier height, and the reaction of carbon monoxide with the oxygen-preadsorbed (at 573 K) ZnO decreased the surface barrier height.

• Journal of the Mineralogical Society of Korea
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• v.10 no.1
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• pp.33-44
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• 1997

The reaction path of water-gneiss in 200m borehole at the Soorichi site of Yugu Myeon, Chungnam was simulated by the EQ3NR/EQ6 program. Mineral composition of borehole core and fracture-filling minerals, and chemical composition of groundwater was published by authors. In this study, chemical evolution of groundwater and formation of secondary minerals in water-gneiss system was modelled on the basis of published results. The surface water was used as a starting solution for reaction. Input parameters for modelling such as mineral assemblage and their volume percent, chemical composition of mineral phases, water/rock ratio reactive surface area, dissolution rates of mineral phases were determined by experimental measurement and model fit. EQ6 modelling of the reaction path in water-gneiss system has been carried out by a flow-centered flow through open system which can be considered as a suitable option for fracture flow of groundwater. The modelling results show that reaction time of 133 years is required to reach equilibrium state in water-gneiss system, and evolution of present groundwater will continue to pH 9.45 and higher na ion concentration. The secondary minerals formed from equeous phase are kaolinite, smectite, saponite, muscovite, mesolite, celadonite, microcline and calcite with uincreasing time. Modeling results are comparatively well fitted to pH and chemical composition of borehole groudwater, secondary minerals identified and tritium age of groundwater. The EQ6 modelling results are dependent on reliability of input parameters: water-rock ratio, effective reaction surface area and dissolution rates of mineral phases, which are difficult parameters to be measured.

• 한국생물공학회:학술대회논문집
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• 2005.10a
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• pp.511-516
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• 2005

Sorbitan methacrylate was synthesized from sorbitan dehydrated from D-sorbitol using an immobilized lipase. To optimize the enzymatic synthesis of sorbitan methacrylate, response surface methodology was applied to determine the effects of five-level-four-factors and their reciprocal interactions on sorbitan methacrylate biosynthesis. A total of 30 individual experiments were performed, which were designed to study reaction temperature, reaction time, enzyme amount and substrate molar ratio. A statistical model predicted that the highest conversion yield of sorbitan methacrylate was 100%, at the following optimized reaction conditions: a reaction temperature of 43.06 $^{\circ}C$, a reaction time of 164.25 mins., an enzyme amount of 7.47%, and a substrate molar ratio of 3.98:1. Using these optimal factor values under experimental conditions in four independent replicates, the average conversion yield reached 98.7%${\pm}$1.2% and was well within the value predicted by the model.

• Journal of the Korean Society for Precision Engineering
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• v.29 no.3
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• pp.247-252
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• 2012

This study has been focused on application of ELID mirror-surface grinding technology for manufacturing single crystal optic sapphire. Single crystal sapphire is a superior material with optic properties of high performance as light transmission, thermal conductivity, hardness and so on. Mirror-surface machining technology is necessary to use sapphire as optic parts. The ELID grinding system has been set up for machining of the sapphire material. According to the ELID experimental results, it shows that the surface of sapphire can be eliminated by metal bonded wheel with micron abrasives and the surface roughness of 60nmRa can be gotten using grinding wheel of 2,000 mesh in 4.5um, depth of cut. In this study, the chemical experiments after ELID grinding also has been conducted to check chemical reaction between workpiece and grinding wheel on ELID grinding process. It shows that the chemical reaction has not happened as the results of the chemical experiments.

• Polymer(Korea)
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• v.35 no.4
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• pp.302-307
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• 2011

The parameters of silanol formation reaction of organosilane including solvent type, solution concentration, pH and hydrolysis time influence the adhesion property of 2 layer flexible copper clad laminate (FCCL). Especially, the hydrolysis reaction time of silane coupling agent affects the formation of the silanol groups and their self-condensation to generate oilgomeric structure to enhance the surface treatment as an adhesive promoter. In our study, we prepared the binary silane coupling agents to control hydrolysis reaction rate and surface energy after treatment of silane coupling agents for increasing the adhesive property between a copper layer and a polyimide layer. The surface morphology of rolled copper foil, as a function of the contents of the coated binary silane coupling agent, was fully characterized. As fabricated 2-layer FCCL, we observed that adhesive properties were changed by hydrolysis rate and surface energy.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.450-450
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• 2011

This study reports the hydrogen sulfide gas sensing properties of ZnO nanorods bundle and the investigation of gas sensing mechanism. Also the improvement of sensing properties was also studied through the application of ZnO heterstructured nanorods. The 1-Dimensional ZnO nano-structure was synthesized by hydrothermal method and ZnO nano-heterostructures were prepared by sonochemical reaction. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) spectra confirmed a well-crystalline ZnO of hexagonal structure. The gas response of ZnO nanorods bundle sensor increased with increasing temperature, which is thought to be due to chemical reaction of nanorods with gas molecules. Through analysis of X-ray photoelectron spectroscopy (XPS), the sensing mechanism of ZnO nanorods bundle sensor was explained by well-known surface reaction between ZnO surface atoms and hydrogen sulfide. However at high sensing temperature, chemical conversion of ZnO nanorods becomes a dominant sensing mechanism in current system. In order to improve the gas sensing properties, simple type of gas sensor was fabricated with ZnO nano-heterostructures, which were prepared by deposition of CuO, Au on the ZnO nanorods bundle. These heteronanostructures show higher gas response and higher current level than ZnO nanorods bundle. The gas sensing mechanism of the heteronanostructure can be explained by the chemical conversion of sensing material through the reaction with target gas.

• Journal of the Korean Chemical Society
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• v.32 no.2
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• pp.94-102
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• 1988

A quantitative description of the principle of least motion is suggested. The reaction path function of electronic variables, its norm and the reaction path average energy, which are unique for a given reaction path on a potential energy surface of a reacting system, are defined and their characteristics are discussed. It is postulated that the norm of the function and the average energy can be used as a criterion for identification of the preferred path of a unimolecular isomerization reaction. For a molecule with a certain symmetry, the preferred path, with which Woodward-Hoffmann rule agrees, is immediately identified without laborious computation.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.89-94
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• 2011

The mechanism of the cycloaddition reaction of forming germanic bis-heterocyclic compound between singlet dimethylgermylene carbene and acetone has been investigated with CCSD(T)//B3LYP/6-$31G^*$ method. From the potential energy profile, it can be predicted that, this reaction has one dominant channel. The presented rule of this dominant channel is that the two reactants firstly form a four-membered ring carbene (RC4) through the [2+2] cycloaddition reaction. Due to $sp^2$ hybridization of carbene C atom in RC4, RC4 further combines with acetone to form a reactant complexe (RC5). Due to the further $sp^3$ hybridization of carbene C atom in RC4, RC5 isomerizes to a germanic bisheterocyclic compound (P6) via the transition state (TS5).