• Korean Chemical Engineering Research
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• 제56권6호
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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.

• 대한화학회지
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• 제31권2호
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• pp.190-196
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• 1987

9-바바라릴 양이온의 구조를 탄소-13 핵자기공명을 이용한 Hammett-Brown식을 이용해서 조사하였다. 이를 위하여 9-아릴트리시클로$[3.3.1.0^{2,8}]$노난 (5) 및 9-아릴트리시클로 $[3.3.1.0^{2,8}]$노나-3,6-디엔 (6)계 양이온을 영하 $120^{\circ}C$에서 해당 알코올과 불화황산과의 반응에서 얻었고 양하전 탄소에 대한 화학적이동이 측정되었다. 양이온 5와 6에 대한 Hammett-Brown식의 기울기, 즉 ${\rho}^{C+}$값은 각각 -5.01과 -7.52였다. 이들 값의 결과로만 보면 이중결합의 영향이 있는 것처럼 보인다. 그러나, 9-바바라릴과 8, 9데히드로아다만틸 양이온들의 ${\rho}^{C+}$와 ${\rho}^{C_a^+}$ 값들을 비교한 결과에서 9-바바라릴 양이온도 도표 1에서의 4의 구조를 가져야 된다는 결론을 얻어냈다.

• 멤브레인
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• 제21권2호
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• pp.141-147
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• 2011

바나듐 레독스-흐름 전지 (V-RFB)용 격막으로 사용하기 위해 폴리설폰(psf)에 폴리페닐렌설파이드설폰(PPSS)을 블록 공중합 시킨 폴리머와 여기에 TPA (tungstophosphoric acid)를 첨가하여 양이온교환막을 제작하였다. 제작한 막은 1M $H_2SO_4$용액을 사용하여 막 저항을 평가하였다. 제작한 Psf-PPSS와 Psf-TPA-PPSS 양이온교환막의 막 저항은 약 $0.94{\Omega}{\cdot}cm^2$를 나타냈다. 제작한 양이온교환막과 Nafion117을 격막으로 사용하여 V-RFB의 전기화학적 특성을 평가하였다. 4 A의 전류에서 측정한 V-RFB의 충 방전 셀 저항은 막의 종류에 따라 Nafion117 < Psf-TPA-PPSS < Psf-PPSS 의 순서로 값이 낮았다. 막을 5가 바나듐 수용액에 침적하여 침적시간 변화에 따른 V-RFB의 총 방전 셀 저항을 측정함으로써 내구성을 평가하였다. 내구성은 제작한 Psf-PPSS 막이 가장 우수하였으며, Nafion117막과 제작한 Psf-TPA-PPSS막이 서로 동등하였다.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.775-782
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• 2014

The importance of including spin-orbit interactions for the correct description of structures and vibrational frequencies of haloiodomethanes is demonstrated by density functional theory calculations with spin-orbit relativistic effective core potentials (SO-DFT). The vibrational frequencies and the molecular geometries obtained by SO-DFT calculations do not match with the experimental results as well as for other cations without significant relativistic effects. In this sense, the present data can be considered as a guideline in the development of the relativistic quantum chemical methods. The influence of spin-orbit effects on the bending frequency of the cation could well be recognized by comparing the experimental and calculated results for $CH_2BrI$ and $CH_2ClI$ cations. Spin-orbit effects on the geometries and vibrational frequencies of $CH_2XI$ (X=F, Cl, Br, and I) neutral are negligible except that C-I bond lengths of haloiodomethane neutral is slightly increased by the inclusion of spin-orbit effects. The $^2A^{\prime}$ and $^2A^{{\prime}{\prime}}$ states were found in the cations of haloiodomethanes and mix due to the spin-orbit interactions and generate two $^2E_{1/2}$ fine-structure states. The geometries of $CH_2XI^+$ (X=F and Cl) from SO-DFT calculations are roughly in the middle of two cation geometries from DFT calculations since two cation states of $CH_2XI$ (X=F and Cl) from DFT calculations are energetically close enough to mix two cation states. The geometries of $CH_2XI^+$ (X=Br and I) from SO-DFT calculations are close to that of the most stable cation from DFT calculations since two cation states of $CH_2XI$(X=Br and I) from DFT calculations are energetically well separated near the fine-structure state minimum.

• Bulletin of the Korean Chemical Society
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• 제11권4호
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• pp.276-281
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• 1990

The equivalent conductance of univalent cation (potassium, silver, thallium and ammonium) perchlorates in methanol containing 18-membered crown ethers, 18-crown-6 (18C6) and 1,10-dithia-18-crown-6 (DT18C6) were measured at different temperatures. The equivalent conductances of ammonium perchlorate were increased by increasing content of DT18C6 exceptionally, due to more favorable solvations than complexations. From the equivalent conductance changes, the formation constants for 1:1 compmlexes have been determined, and the values of enthalpy and entropy changes have been calculated. The complexations of 18C6 and DT18C6 with the univalent cations under investigation are all exothermic and the ${\Delta}$S values are all negative and no considerable differences around 50 J/ (k mol). The selectivity order of 18C6 is $K^+ > Tl^+ > Ag^+ > NH_4^+$, while that of DT18C6 is $Ag^+ > Tl^+ > NH_4^+ > K^+$. By sulfur substitutions in 18C6 result in significant decrease in stability, but the stability of $Ag^+$-DT18C6 complex are $10^4$ times larger than those of $K^+$. This increase of stabilities for $Ag^+$-DT18C6 complex are primary due to the result of favorable exothermic heat of reaction between the polarizable soft cation and soft sulfur centers. In NMR experiment, the stepwise additions of cation perchlorates into crown ether solutions induced two major spectral changes. First, the resonance all shift down field and the cation induced shifts were linear up to 1:1 cation/crown ratio, above which no further changes were observed. On the basis of these results, it could be concluded that 1:1 complex is formed. Second, the magnitudes of cation induced shifts were different each other in same ligand. By addition of silver ion to the solution of DT18C6, the largest shift of proton peak near the sulfur atom was observed. These effects are also arisen from the results of covalent bonding between "soft-soft" interactions.

• 광물과 암석
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• 제35권3호
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• pp.345-353
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• 2022

본 연구는 합성 모데나이트(Na_6.6Al_6.6Si_41.4O₉₆·20.4H₂O, Na-MOR)를 이용한 다양한 중금속의 포획 연구를 하기 위한 기초 단계로, 고분해능 X-선 분말 회절을 이용하여 치환체의 격자상수 및 부피 변화를 이해하기 위한 목적으로 실험을 진행하였다. 열중량 분석법(Thermogravimetric analysis, TGA)으로 측정한 결과, 1가 양이온 치환체(Cs-MOR, Na-MOR)는 단위포 당 19.4, 20.4개의 물분자가 존재하였으며, 2가 양이온 치환체(Pb-MOR, Sr-MOR, Cd-MOR)는 단위포 당 21, 23.1, 23.2개가 존재하는 것을 확인하였다. 측정한 모든 물질은 사방정계에 속하는 Cmcm의 공간군을 가지는 것으로 확인할 수 있었다. 치환 전 물질인 Na-MOR과 비교했을 때, 치환체의 (110)면과 (200)면의 회절강도가 명확하게 변화하였으나, 전체적인 피크의 위치는 거의 유사하게 나타나는 것을 확인할 수 있었다. 또한 Na-MOR에서는 확인이 되지 않았던 (220)면의 피크가 Pb-, Cd-, Sr-MOR에서 뚜렷하게 관찰되었다. 이를 통해서 양이온 치환에 따른 원자들의 분포 변화가 주로 ab-평면상에서 나타나지만, 격자상수의 변화는 미세할 것으로 짐작할 수 있었다. Whole profile fitting 방법을 사용하여 치환된 모데나이트의 미세한 격자상수의 변화를 관찰하였다. 치환체의 격자상수 및 격자부피의 변화는 치환된 양이온의 반경 및 전하수에 따라 서로 다른 경향성을 보였다. 1가 양이온의 경우, 이온반경이 증가할수록 a-축의 길이는 증가하지만, 반면에 b- 및 c-축의 길이는 감소하였다. 2가 양이온의 경우, 이온반경이 증가할수록 대체적으로 a-축의 길이가 감소하고, b- 및 c-축의 길이는 증가하였다. 격자부피는 1가 또는 2가 양이온 치환체들이 각각 독립된 경향성을 가지며, 이온반경에 따라 증가하는 것을 확인할 수 있었다.

• Bulletin of the Korean Chemical Society
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• 제28권2호
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• pp.319-321
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• 2007

• 한국토양비료학회지
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• 제6권3호
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• pp.193-197
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• 1973

1. 두 다년생(多年生) 사막식물(沙膜植物) (Lycium andersonii, Atriplex confertifolia)이 Na($NO_3{^-}$, $Cl^-$, $H_2PO_4{^-}$)의 다른 기원으로 식물체내(植物體內) cation-anion 균형에 대(對)한 영향을 평가하기 위해 온실에서 토양재배(土壤裁培)를 하였다. 2. 각(各) anion은 다른 anion과 상호작용(交互作用)이 있을지라도 시비(施肥)에 따라 주(主)로 엽(葉)에 증가되였다. 3. 측정(測定)된 전(全) anion(N. P. Cl)은 각(各) 식물(植物) 부분(部分)에 증가되였다. 4. 동시에 전(全) cation도 증가현상을 보였다. 5. Cation-action의 비율은 $NaNO_3$의 경우 현저(顯著)히 감소(減少)되였다. cation-anion 비율(比率)은 보통 1을 넘고 있다. 6. 염내(鹽內) Cl 및 N의 최고(最高) 함량은 이들 성분(成分)이 부여(附加)될 때 Lycium andersonii에서 13.51% 및 6.37%로 각각(各各) 나타나고 있다. 7. Na 농도(濃度)는 Lycium andersonii 보다 Atriplex confertifolia 에서 더 높았다. 8. Na의 각 처리간에 유의차가 있을지라도 전(全) cation은 일정(一定)하게 유지(維持)되는 것으로 봐 처리구(處理區)에서 Na가 증가 됨으로서 다른 Cation들 사이에 약간의 보상작용(補償作用)이 나타났다. 9. Lycium andersonii는 Li의 축적자(蓄績者)로 나타나고 있다.

• Journal of Acupuncture Research
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• 제18권4호
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• pp.143-151
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• 2001

Objective : This study was undertaken to determine whether Scutellaria balicalensis Georgi (SbG) extract exerts the protective effect against oxidant-induced alterations in organic cation transport in the renal proximal tubule. Methods : Organic cation transport was estimated by examining alterations in tetraethylammon - ium(TEA) uptake in rabbit renal cortical slices. The slices were treated with 0.2 mM tBHP for 60 min at $37^{\circ}C$. tBHP caused an inhibition in TEA uptake by renal cortical slices. Such an effect was accompanied by depressed Na+-K+-ATPase activity and ATP depletion. tBHP also induced a significant increase in LDH release. Results : SbG prevented tBHP-induced inhibition of TEA uptake in a dose-dependent manner at the concentration ranges of 0.05-0.1%. tBHP-induced inhibition of Na+-K+-ATPase activity and ATP depletion were significantly prevented by 0.05% SbG. tBHP-induced LDH release also was blocked by SbG. tBHP caused a significant increase in lipid peroxidation and its effect was prevented by SbG. Conclusion : These results suggest that SbG prevents oxidant-induced alterations in organic cation transport in rabbit renal cortical slices. Such protective effects of SbG may be attributed to inhibition of peroxidation of membrane lipid.

• 한국전기전자재료학회논문지
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• 제28권5호
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• pp.314-319
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• 2015

In this research, we focused on the development of cy3 dye with high thermal stability and good solubility for LCD color filter. Cy3 dyes were prepared through the synthetic procedure of two steps. The synthesized cy3 dyes were characterized by using NMR, FT-IR, UV/Vis spectroscopy, and TGA. These cy3 dyes showed maximum absorption wave length (${\lambda}_{max}$) in the range of 549~555 nm in UV/Vis spectrum. And we confirmed that solubility characteristics and thermal stability of cy3 dyes were dependent on the structure of counter cation. Cy3 dyes with methyl counter cation and ethyl counter cation have good solubility in organic solvents such as chloroform, ethanol, and PGME. Moreover, Cy3 dye with ethyl counter cation gave excellent thermal stability in TGA thermograms. And Cy3 dye with ethyl counter cation showed good result in photoresist film test.