• 한국신재생에너지학회:학술대회논문집
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• 2006.06a
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• pp.387-390
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• 2006

We report here that under strong attacksof external $CH_4$ guest molecules the sII and sH methane hydrates are structurally transformed to the crystalline me framework of sI, leading to favorable change of the lattice dimension of the host-guest networks. The High Power Decoupling $^{13}C$ NMR and Raman spectroscopies were used to identify structure transitions of the mixed $CH_4+C_2H_6$ hydrates (sIIl) and hydrocarbons (methylcyclohexane, isopentane) + $CH_4$ hydrates (sH). The resulting spectra indicate that most of the synthesized sII and sH hydrates were transformed to methane hydrate of sl under 110 bar and particularly the coexistence of sl with sII or sH appear according to the surrounding methane-rich gas conditions. The present findings might be expected to Provide rational evidences regarding the preponderant occurrence of naturally-occurring sI methane hydrates in marine sediments.

• Analytical Science and Technology
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• v.21 no.6
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• pp.562-568
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• 2008

A novel two-dimensional cadmium(II)-nickel(II) bimetallic host clathrate, $[Cd{NH_2CH_2CH_2OH}_2Ni(CN)_4]{\cdot}3C_6H_5NH_2{\cdot}H_2O$, 1, has been synthesized and structurally characterized by X-ray single crystallographic method. The clathrate 1 crystallizes in the monoclinic system, space group $P2_1/c$ with a = 14.370(3), b = 7.728(1), c = 28.172(4) ${\AA}$, ${\beta}=97.58(1)^{\circ}$, V = 3101.1(9) ${\AA}^3$, Z = 4. The host framework of the clathrate 1 is built of the cyanide bridges between octahedral Cd(II) atom and square planar Ni(II) atom. The octahedral Cd atoms ligated by two 2-aminoethanol molecules and four cyanide ligands bridged with square planar Ni atoms. The Ni atoms bridges to four Cd atoms via cyanides is made up of puckered quadrangles of composition $\{CdNi(CN)_2\}_2$, all edges are shared. This cyanide bridges form an infinite two-dimensional host networks stacking along b axis. 2-Aminoethanol ligands bond to Cd atom through N atom as a monodentate ligand in the axial position and four cyanides take an equatorial plane with all in trans-configurations. The aniline guest molecules and water molecules are located in between the host layer sheets, respectively.

• Bulletin of the Korean Chemical Society
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• v.29 no.12
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• pp.2383-2389
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• 2008

• Journal of Pharmaceutical Investigation
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• v.21 no.4
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• pp.223-230
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• 1991

The structural specificity and the chemical dynamics between ${\beta}-cyclodextrin$ and aspirin were studied by FT-IR UN, $^1H$ NMR. $^{13}C NMR$. and FAB-MS spectroscopy in solution and solid state, A stable solid inclusion complex was prepared by the recrystallization method, From the spectral changes of the host and guest molecules, orientational preference for binding in the cyclodextrin cavity was determined.

• Korean Chemical Engineering Research
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• v.55 no.5
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• pp.704-710
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• 2017

Although the desalination technique using gas hydrate formation is at a development stage compared to the commercially well-established reverse osmosis (RO), it still draws attention because of its simplicity and moderate operational conditions especially when using refrigerants for guest gases. In this study, DFT (density functional theory)-based molecular modeling was employed to explain the energetics of the gas hydrate formation using HFC (hydrofluorocarbon) and HCFC (hydrochlorofluorocarbon) refrigerants. For guest gases, R-134a, R-227ea, R-236fa, and R-141b were selected and three cavity structures ($5^{12}$, $5^{12}6^2$, and $5^{12}6^4$) composed of water molecules were constructed. The geometries of guest gas, cavity, and cavity encapsulating guest gas were optimized by molecular modeling respectively and their located energies were then used for the calculation of binding energy between the guest gas and cavity. Finally, the comparison of binding energies was used to propose which refrigerant is more favorable for the gas hydrate formation energetically. In conclusion, R-236fa was the best choice in terms of thermodynamic spontaneity, less toxicity, and low solubility in water.

• 한국신재생에너지학회:학술대회논문집
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• 2011.05a
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• pp.146.2-146.2
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• 2011

Molecular behaviors and crystal structures of the binary hydrates of $CH_4$ and ethanol were identified by means of 13C solid-state NMR and powder XRD methods at various concentrations of ethanol. In addition, NMR peak areas were used to calculate cage occupancies for both guest species. Obtained results showed that more $CH_4$ molecules are captured into hydrate phase per unit mass of ethanol molecules because $CH_4$ molecule can occupy sII large cages more, and pure $CH_4$ hydrate can form more as well at lower ethanol concentrations. Even though tuning phenomenon was already reported for some aqueous hydrate promoters such as THF, aqueous ethanol solutions are found to play the same tuning role in the binary clathrate hydrates in this study.

• 한국신재생에너지학회:학술대회논문집
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• 2007.06a
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• pp.519-523
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• 2007

Gas(or methane) hydrates are solid solutions when water molecules are linked through hydrogen bonding and create host lattice cavities that can enclose a large variety of guest gas molecules. The natural gas hydrate crystal may exist at low temperature above the normal freezing point of water and high pressure greater than about 30 bars. A lot of quantities of natural gas hydrates exists in the earth and many production schemes are being studied. In the present investigation, depressurization method was considered to predict the production of gas and the simulation of the two phase flow - gas and water - in porous media is being carried out. The simulation show about the fluid flow in porous media have a variety of applications in industry. Results provide the appearance of gas and water production, the pressure profile, the saturation of gas/ water/ hydrates profiles and the location of the pressure front.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.26 no.9
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• pp.682-685
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• 2013

We have fabricated blue phosphorescent organic light-emitting devices (OLEDs) on a plastic substrate. The solution coated poly (9-vinylcarbazole) (PVK) host doped with Bis (3,5-difluoro-2-(2-pyridyl)phenyl_(2-carboxypyridyl)irdium(III) (FIrPic) guest molecules was used as an hole transporting emission layer. The device structure was ITO/PVK:FIrpic (50 nm, xwt%)/TAZ 50 nm)/LiF (0.5 nm)/Al (100 nm). The concentration of FIrpic molecule was varied from 1 wt% to 10 wt%. The OLED on plastic substrate exhibited maximum current efficiency of 18 cd/A with 5 wt% FIrpic molecules were doped into the PVK layer.

• Proceedings of the KSME Conference
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• 2000.11b
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• pp.241-246
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• 2000

Gas hydrates are solid solutions when water molecules are linked through hydrogen bondin create host lattice cavities that can enclose a large variety of guest gas molecules. The natural hydrate crystal may exist at low temperature above the normal freezing point of water and pressure greater than about 30 bars. A lot of quantities of natural gas hydrates exists in the ear many production schemes are being studied. In the present investigation, depressurization method considered to predict the production of gas and the simulation of the two phase flow - gas and - in porous media is being carried out. The simulation show about the fluid flow in porous have a variety of applications in industry. Results provide the appearance of gas and water prod the pressure profile, the saturation of gas/ water/ hydrates profiles and the location of the pl front.

• Journal of the Korean Applied Science and Technology
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• v.13 no.2
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• pp.29-37
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• 1996

The phase separated structure and the electo-optical properties of the polymer /liquid crystal(LC) composite films including a dye were investigated. The phase separated structure of the polymer /LC / dye composite film(GH composite film) including below 2wt% dye against LC was almost same with the composite film which does not include dye. But the electro-optical properties of the GH composite film strongly depended on weight fraction of the dye against the LC. The response time of the GH composite film increased with the increase of the dissolved dye in LC because the dye acts as a registivity for the orientation of LC molecules by the electric filed.