• Journal of the Korean Society of Visualization
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• v.14 no.1
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• pp.51-56
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• 2016

Oxygen is a key factor in aerobic reactions and most biological activities. Visualization of oxygen distribution of a chemical process or biological system has been a very challenging object despite of its significance and potential impact. To monitor and visualize the spatial distribution of oxygen concentration, various techniques such as electro-chemical probe, polarographic electrode, LIF(laser-induced fluorescence) and so on have been introduced. Oxygen planar optode which utilizes the oxygen quenching of fluorescence light is one of the currently available methods for time-resolved visualization of oxygen distribution on a planar surface. In this study, we utilized VisiSens oxygen planar optode system to visualize the spatial distribution of oxygen concentration on leaves of Korean azalea. As a result, temporal variation of oxygen concentration distribution caused by respiratory activity of the leaf could be quantitatively monitored.

• Korean Journal of Ecology and Environment
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• v.41 no.2
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• pp.166-173
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• 2008

Chemical forms and release potential of heavy metals were studied in the lime treated sediment of lake Chungcho. Chemical forms of heavy metals were analyzed using a sequential extraction method, and release potential of heavy metals was evaluated by the ratio of the content of labile forms to total metal one. Dominant form of Cd, Cu, Pb, and Zn in the untreated sediments was organic/sulfidic form that is stable in the reducing environment such as the bottom of Lake Chungcho. With liming of the sediment, the chemical forms of studied metals were greatly changed from organic/sulfidic form to adsorbed and reducible form, especially Cd and Cu to adsorbed and reducible form, but Pb and Zn to reducible form. It is believed that increase of unstable form of heavy metals in the sediments by liming was caused by the increase of pH of the pore water at the expense of organic/sulfidic form. Thus, we concluded that the liming approach currently used in the treatment of dredged sediments might cause the increase of labile form which is easily dissolved, and may increase the release of metals from the sediment into overlying water.

• Journal of the Korean Chemical Society
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• v.42 no.1
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• pp.16-21
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• 1998

The adsorption of ethane and propane in $K^{+}$ ion exchanged zeolite L has been studied using grand canonical ensemble Monte Carlo simulation. $CH_3$ and $CH_2$ groups of sorbate molecule were considered as pseudoatoms in calculation of potential, and the bond lengths and bond angles within a molecule were fixed during simulation. Average number of molecules per unit cell, number density of molecules in zeolite, distribution of molecules per unit cell, average potential per sorbate molecule, and isosteric heats of adsorption were calculated, and these results were compared with experimental results. For ethane the simulation results agreed considerably well with experimental ones over a wide range of temperature. The average potential of sorbate molecule decreased slowly with the increase of amounts sorbed in zeolite.

• Bulletin of the Korean Chemical Society
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• v.22 no.8
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• pp.847-849
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• 2001

The OSS2(Ojame-Shavitt-Singer 2)[L. Ojame et al., J. Chem. Phys. 109, 5547 (1998)] model as a dissociable water model is examined in order to study the dynamics of H+ in water. MD simulations for 216 water system, 215 water + H+ ion system, and 215 water + OH- ion system using the OSS2 model at 298.15 K with the use of Ewald summation are carried out. The calculated O-H radial distribution functions for these systems are essentially the same and are in very good agreement with that obtained by Ojame.

• Bulletin of the Korean Chemical Society
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• v.15 no.10
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• pp.852-856
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• 1994

A series of aliphatic hydrocarbons, methane to hexane in the liquid state, are modeled with the molecular mechanical potential parameters treating all hydrogen degrees of freedom explicitly. Thermodynamic properties (heat capacities and heats of vaporization) are calculated from relatively short (20ps) molecular dynamics trajectories. The liquid state structures are also examined through various radial distribution functions. Molecular dynamics simulations reproduce experimentally measured properties within a few percent errors, thus indicate that the present set of all-hydrogen parameters is suitable for simulating macromolecular systems in bulk.

• Bulletin of the Korean Chemical Society
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• v.12 no.4
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• pp.423-429
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• 1991

Global and local memory functions, defined by Quack and Troe, were calculated for the rotationally inelastic collision of O + SO(v, j)→ [O--S--O]→O + SO(v, j'). It is seen to decrease steadily as total energy increases. Distribution of scattering cross section over product rotational states also shows the decreasing memory of initial state as total energy is increased. These results are interpreted in terms of energy scrambling at high energy due to the availability of more phase space and also the influence of strong dynamical constraints.

• Korean Chemical Engineering Research
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• v.49 no.3
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• pp.361-366
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• 2011

By using Monte Carlo simulation method we developed a new molecular simulation software which can be used to predict the thermodynamic properties of organic compounds. Starting from molecular structure and intermolecular potential function, rigorous statistical mechanical principles give a probability distribution for the behavior of a system containing many molecules, which enables us to calculate macroscopic thermodynamic properties of the system. The software developed in this work, cheMC, is based on Windows platform providing with easy access. One can efficiently administrate simulations by using an intuitive interface equipped with visualization tool and chart generation. It is expected that molecular simulations supplement the equation of state approach and will play a more important role in the study of thermodynamic properties.

• KSBB Journal
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• v.25 no.1
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• pp.41-46
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• 2010

In this study, we found that dewatering properties were related with physico-chemical properties such as sludge concentration, pH, and zeta potential with sewage sludge, Ionic contents in digested sludge were in the order of $Ca^{2+}$ (14.2 mg/g) > $Mg^{2+}$ (1.9 mg/g) > $Na^+$ (1.4 mg/g) > $K^+$ (1.0 mg/g). Divalent ion more than monovalent have influenced on physico-chemical and dewatering properties. Floc size distribution in activated (AS) and digested sludge (DS) increased on lower pH range to be near isoelectric point and than specific resistance to filtration (SRF) decreased. A linear increase in SRF ($5.25\times10^{13}\sim2.86\times10^{14}$ m/kg in AS and $6.89\times10^{14}\sim1.09\times10^{15}$ m/kg in DS) was observed throughout low concentration range of 1230~9960 mg/L in AS and 2700~5400 mg/L in DS.

• Journal of the Korean Ceramic Society
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• v.49 no.1
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• pp.37-42
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• 2012

Mass transport near grain boundary in a magnetite bi-crystal has been estimated at 823 K by finite element method. Mass transport near grain boundary strongly depends on the diffusivities along grain boundary. If grain boundary diffusion has the same oxygen activity dependence as lattice diffusion, there is no mass transport between grains and grain boundary. On the other hand, mass transport between grains and grain boundary is observed in the case that grain boundary diffusion has different oxygen activity dependence.

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.937-942
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• 2003

The relaxation phenomena of ionic currents through the charged membrane under the constant applied potentials has been studied. The formulation was obtained for the non stationary current by assuming that the ion mobility is independent of concentration and the potential gradient is a constant within membrane, and it was applied to the experimental results with the sulfonated polystyrene collodion base membrane. It has been shown that the initial ion distributions in the membrane play a predominant role in the relaxation phenomena.