• Elastomers and Composites
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• v.39 no.4
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• pp.318-323
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• 2004

Cloud-point and bubble-point curves for poly(ethylene-co-13.8 mol% octene) ($PEO_{13.8}$) and Poly(ethylene-co-15.3 mol% octene) ($PEO_{15.3}$) were determined up to $150^{\circ}C$ and 450 bar in hydrocarbons which have different molecular size and structure. Whereas ($PEO_{15.3}$+ n-pentane) system has cloud-point and bubble-point type transitions, ($PEO_{15.3}$+ n-propane) and ($PEO_{15.3}$+ n-butane) systems do only cloud-point type transition. In cyclo-pentane, -hexane, -heptane, and -octane, $PEO_{15.3}$ has a bubble-point transition. ($PEO_{13.8}$+ n-butane) mixture has a critical mixture concentration at 5 wt% PEO. (PEO + hydrocarbon) mixtures exhibit LCST type behavior. Solubility of PEO increases with hydrocarbon size due to increasing dispersion interaction which is favorable to dissolve PEO.

• 한국신재생에너지학회:학술대회논문집
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• 2007.11a
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• pp.585-589
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• 2007

Gas hydrate is a special kind of inclusion compound that can be formed by capturing gas molecules to water lattice in high pressure and low temperature conditions. When referred to standard conditions, $1m^3$ solid hydrates contain up to $172Nm^3$ of methane gas, depending on the pressure and temperature of production, Such large volumes make natural gas hydrates can be used to store and transport natural gas. In this study, three-phase equilibrium conditions for forming methane hydrate were theoretically obtained in aqueous single electrolyte solution containing 3wt% Nacl. The results show that Nacl acts as a inhibitor, but help gases such as ethan, propane, i-butane, and n-butane reduce the hydrate formation pressure at the same temperature.

• Journal of the Korean Institute of Gas
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• v.4 no.1 s.9
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• pp.69-76
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• 2000

Explosion Quantities and flashing mass resulting from the variation of temperature are calculated by a computer program, BLEVE ESTIMATOR, to carry out the risk assessment of BLEVE. The damages caused by the BLEVE are estimated under the explosion of the simulation condition similar to the Puchun LP gas station accident, and the results are compared with the commercial program SAFER of Dupont CO. Explosion quantities and flashing mass increase exponentially with the increase of explosion temperature. These values for propane are relatively higher than those for n-butane. In conditions of higher vessel temperature, vessel pressure, and liquid ratio of containment, higher overpressures are calculated.

• 한국연소학회:학술대회논문집
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• 2015.12a
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• pp.291-293
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• 2015

The experimental study on flow characteristic in various laminar coflow diffusion flame has been conducted with a particular focus on the buoyancy force exerted from gaseous hydrocarbon fuels. Methane ($CH_4$), Ethylene ($C_2H_4$) and n-Butane ($C_4H_{10}$) were used as fuels. Coflow burner and Schlieren technique were used to observe the fuel flow field near nozzle exit and flow characteristics in flames. The result showed that the vortices in n-Butane with density heavier than air were appeared near the nozzle exit with the strong negative buoyancy on the fuel stream. As Reynolds number increases by the control of velocity, the vortices were greater and the vortices tips were moved up from the nozzle exit. In addition, it can be found that the heated nozzle can affect to the flow fields of fuel stream near the nozzle exit.

• Korean Chemical Engineering Research
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• v.56 no.6
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• pp.909-913
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• 2018

A hydrocarbon trap (HT) plays an important role of controlling vehicle emissions in the so-called cold emission period by holding hydrocarbons until three way catalysts (TWCs) are thermally activated. In this study, we have investigated the adsorption characteristics of cation (H, La, K, and Ag)-exchanged ZSM-5 zeolites for hydrocarbons (propylene, n-butane, and toluene) by DFT (density functional theory)-based computational chemistry. Cation exchange is to improve the hydrothermal stability of zeolites and their adsorption capacity, thereby rendering cation-exchanged zeolites promising materials for HT. The idea of cluster approximation makes the calculation of adsorption energies superbly efficient in computation. The results showed that Ag-exchanged ZSM-5 would be the best for the adsorption of all three adsorbates, without often encountered Ag oxidation in experiments. Besides, the hydrothermal stability of La-exchanged ZSM-5 was confirmed from the change of geometrical parameters by cation exchange, and it showed good adsorption capacity for propylene and toluene. Hydrogen-exchanged ZSM-5 was also good for hydrogen adsorption, but had poor hydrothermal stability.

• Journal of Korean Society for Atmospheric Environment
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• v.17 no.E3
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• pp.101-107
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• 2001

Source profiles were developed for a total of 45 volatile organic compounds (VOC) that can be emitted from gasoline evaporation. The gasoline samples of five major brands (for each season) were blended on the basis of the market share in Seoul area and analyzed by a GC-MS/FID system. In addition, we calculated gasoline evaporative compositions using the Raoult's law from the liquid gasoline compositions. The measured and estimated gasoline vapor compositions agree well each other. As a group, alkanes are the most abundant in the gasoline vapors profiles (77.4% on average), followed by alkenes (19.1%), and aromatics (1.7%). As a specie in gasoline vapor, i-pentane is the most abundant, followed by n-butane, n-pentane, i-butane, trans-and cis-2-butenes, 2-methyl-2-butene, and trans-and cis-2-pentenes . It was also seen that aromatic content was much lower in the vapor phase compositions. From the comparison between experimental and calculated compositions, we identified the fact that once the gasoline vapor composition is reliably constructed entirely from the measured gasoline composition and the Raoult's law calculations, the need for doing separate chemical analyses of the gasoline vapor can be reduced.

• YAKHAK HOEJI
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• v.32 no.3
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• pp.164-169
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• 1988

$^{13}C$ NMR chemical shifts for 18 ${\alpha}-susbstituted$ toluenes at high dilution in $CCl_4$ solution have been determined. Substituents are as follows: H, Me, Et, n-Pr, iso-Pr, Ph, F, Cl, Br, $NH_2$, NHMe, $NMe_2$, OH, OMe, OCOMe, $CO_2Me$, $CO_2Et$, CN. Those chemical shifts of the methylene carbon of the toluene and the ${\alpha}-carbon$ of the n-butane systems are correlated well. (r=.975, slope=.962)

• Journal of the Korean Chemical Society
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• v.49 no.5
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• pp.441-448
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• 2005

• Journal of the Korean Chemical Society
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• v.26 no.4
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• pp.195-204
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• 1982

Semi-empirical MO calculations, EHT, CNDO/2, MINDO/3, and MNDO met hods, were performed on various geometries of n-butane, n-alkyl radical and tetramethylene diracal (triplet) in order to compare eigenvalue and eigenvector properties with those obtained by STO-3G method. All methods predicted the same relative order of stabilities of various geometries for n-butane; geometrical preferences were found to be dominated by one-electron factor, ${\pi}$-orbital energy changes being more impotant in the semi-empirical methods. The hyperconjugative energy changes accompanying structural changes from $(n-{\sigma}{\ast})_{trans}$ to (n-{\sigma}{\ast})cis were underestimated in the EHT, CNDO/2 and MINDO/3, whereas those were overestimated in the MNDO. The net destabilizing effect of $(n-{\sigma}{\ast})_{trans}$ structure was mainly due to the large internuclear energy involved in the structure. Through-space interaction between $n_1$ and $n_2$ orbitals of diradical caused energy gap narrowing of ${\Delta}E_{sp}$ and ${\Delta}{\varepsilon}={\varepsilon}_0$-${\varepsilon}_{av}$; through-space interaction had opposing effect to that of through-bond interaction. Due to the less severe neglect of differential overlaps in the MNDO, this energy gap narrowing effect appeared amplified in the MNDO. In general orbital properties were found to be reproduced satisfactorily, but eigenvalue properties were not, in all the semi-empirical methods especially when ${\sigma}-{\sigma}{\ast}$ and n-$n-{\sigma}{\ast}$interactions were involved.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3793-3796
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• 2012

A novel 3D compound $\{[Cu(L)(H_2O)_4][Cu_2(SIP)_2(L)_2]\}{\cdot}2H_2O$ (1) (L = N,N-bis(4-pyridinecarboxamide)-1,4-butane, SIP = 5-sulfoisophthalate) is hydrothermally synthesized. X-ray diffraction analysis reveals that compound 1 is composed of 2D anionic $[Cu_2(SIP)_2(L)_2]_n{^{2n-}}$ double-layers and discrete 1D cationic $[CuL(H_2O)_4]_n{^{2n+}}$ polymeric chains, which represents a rare 3D polypseudo-rotaxane MOF from intercalation of 1D and 2D framework. In addition, the luminescent property and electrochemical behavior of compound 1 have been investigated.