• Bulletin of the Korean Chemical Society
• /
• 제27권9호
• /
• pp.1405-1417
• /
• 2006

The geometrical structures, potential energy surfaces, and energetics for the ligand exchange reactions of tetracoordinated platinum $(PtY_2L_2\;:\;Y,\;L=Cl^-,\;OH^-,\;OH_2,\;NH_3)$ complexes in the ligand-solvent interaction systems were investigated using the ab initio Hartree-Fock (HF) and Density Functional Theory (DFT) methods. The potential energy surfaces for the ligand exchange reactions used for the conversions of $(PtCl_4\;+\;H_2O)^{^\ast_\ast}\;to\;[PtCl_3(H_2O)\;+\;Cl^-]$ and $[Pt(NH_3)_2Cl_2\;+\;H_2O]$$[Pt(NH_3)_2Cl_2\;+\;H_2O]$ to $[Pt(NH_3)_2Cl(H_2O)\;+\;Cl^-] $ were investigated in detail. For these two exchange reactions, the transition states $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime])^{^\ast_\ast} $ correspond to complexes such as $(PtCl_4{\cdot}{\cdot}{\cdot}H_2O)^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$, respectively. In the transition state, $([PtCl_4{\cdot}{\cdot}{\cdot}H_2O]^{^\ast_\ast}$ and $[Pt(NH_3)_2Cl_2{\cdot}{\cdot}{\cdot}H_2O]]^{^\ast_\ast})$ have a kind of 6-membered $(Pt-Cl{\cdot}{\cdot}{\cdot}HOH{\cdot}{\cdot}{\cdot}Cl)$ and $(Pt-OH{\cdot}{\cdot}{\cdot}Cl{\cdot}{\cdot}{\cdot}HN)$ interactions, respectively, wherein a central Pt(II) metal directly combines with a leaving $Cl^-$ and an entering $H_2O$. Simultaneously, the entering $H_2O$ interacts with a leaving $Cl^-$. No vertical one metal-ligand interactions $([PtY_2L_2{\cdot}{\cdot}{\cdot}L^\prime]) $ are found at the axial positions of the square planar $(PtY_2L_2)$ complexes, which were formed via a vertically associative mechanism leading to $D_{3h}$ or $C_{2v}$-transition state symmetry. The geometrical structure variations, molecular orbital variations (HOMO and LUMO), and relative stabilities for the ligand exchange processes are also examined quantitatively. Schematic diagrams for the dissociation reactions of {PtCl4(H2O)n(n=2,4)} into {$PtCl_3(H_2O)_{(n-2)}\;+\;Cl^-(H_2O)_2$} and the binding energies {$PtCl_4(H_2O)_n$(n = 1-5)} of $PtCl_4$ with water molecules are drawn.

• 폴리머
• /
• 제35권6호
• /
• pp.593-598
• /
• 2011

본 연구에서는 전바나듐 레독스-흐름 전지용 음이온교환막의 제조를 위하여 isophthalic acid (IPA), 1,6-hexanediol(HDO), terephthalic acid(TPA), maleic anhydride(MA)의 용융 축합중합 방법에 의해 IPA-co-HDO-co-(TPA/MA)(IHTM) 공중합체를 합성하였다. 합성된 IHTM 공중합체 아민화 반응을 trimethylamine으로 하였으며, UV 가교 반응을 통하여 음이온교환막을 제조하였다. IHTM 공중합체의 구조 및 열안정성을 FTIR, $^1H$ NMR, TGA 분석을 통하여 확인하였다. 또한 IHTM 음이온교환막의 함수율, 이온교환용량, 전기저항, 전기전도도를 중량법, 적정법 및 LCR 미터로 측정하였으며, 전바나듐 레독스-흐름 전지의 효율 실험을 하였다. 막의 이온교환용량, 전기저항, 전기전도도는 각각 1.10 meq/g, $1.98{\Omega}{\cdot}cm^2$, 0.009 S/cm로 우수하게 나타났으며, 전바나듐 레독스-흐름 전지의 충 방전효율, 전압효율 및 에너지효율은 각각 96.5, 74.6, 70.0%이었다.

• 멤브레인
• /
• 제34권1호
• /
• pp.58-69
• /
• 2024

역전기투석(reverse electrodialysis, RED)은 해수와 담수의 농도 차로부터 에너지를 얻는 이온교환막을 이용한 전기막 공정이다. 해수와 담수에 포함된 다가 이온은 이온교환막의 고정 전하 그룹에 강하게 결합하여 높은 저항을 유발하며 uphill transport를 통해 개방회로 전압과 전력 밀도를 저하시킬 수 있다. 본 연구에서는 RED 응용을 위해 1가 이온 선택성 및 전기화학적 특성이 우수한 세공충진 음이온교환막(pore-filled anion-exchange membrane, PFAEM)을 제조하였다. 제조된 막의 1가 이온 선택성은 3.65였으며 동일 조건에서 1.27의 선택성을 갖는 상용막(ASE, Astom Corp.)보다 우수한 수준을 나타내었다. 또한 제조된 막은 ASE 대비 낮은 전기적 저항 등 우수한 전기화학적 특성을 나타내었다. 0.459 M NaCl/0.0510 M Na₂SO₄의 해수와 0.0153 M NaCl/0.0017 M Na₂SO₄의 담수 조건에서 RED 성능을 평가한 결과 제조된 막을 적용하여 1.80 W/m²의 최대 전력 밀도를 얻었으며 이는 ASE 막 대비 40.6% 향상된 출력 성능이었다.

• 한국산학기술학회논문지
• /
• 제10권2호
• /
• pp.230-236
• /
• 2009

본 논문에서는 신재생 에너지 활용을 위한 그늘막 형태의 연계 계통형 태양광 발전 시스템을 제안한다. 제안하는 발전 시스템은 성하기에 해수욕장을 찾는 피서객들에게 상용전원과 연계 계통하여 최대 전력 수요를 충족시킬 뿐 만 아니라 그늘막으로서의 기능을 갖도록 설계하였다. 태양전지에서 생성된 전기를 낮 시간 동안 축전지에 충전하면 이를 야간에 전등이나 선풍기등에 이용할 수 있다. 축전지를 충전할 때 축전지의 성능을 유지하려면 충방전컨트롤러가 필요하다. 제안하는 축전지 충방전 컨트롤러는 고성능 마이크로프로세서를 사용하여 정확하고 안정된 동작을 하도록 설계하였고 사용자의 편의를 위해 디지털 표시기 및 축전지 교체시기 경보장치등을 갖추고 있다. 제안하는 발전 시스템을 영동 지역 해수욕장에 설치하고 실험을 통하여 전력 생산능력과 발전 성능을 확인하였다.

• 한국재료학회지
• /
• 제12권11호
• /
• pp.860-864
• /
• 2002

$Li^{+}$ extraction reactions with ion-exchange type lithium manganese oxide in an aqueous phase were examined using chemical and x-ray diffraction (XRD) analysis. In the process of extraction reaction, the lithium manganese oxide showed a topotactic extraction of $Li^{+ }$ in the aqueous phase mainly through an ion-exchange mechanism, and the $Li^{+}$ extracted samples indicated a high selectivity and a large capacity for $Li^{+}$ . The electronic structures and chemical bonding properties were also studied using a discrete variational (DV)-X$\alpha$ molecular orbital method with cluster model of (Li$Mn_{12}$ $O_{40}$ )$^{27-}$ for tetrahedral sites and ($Li_{7}$ Mn $O_{38}$ )$^{3}$ for octahedral site in $Li_{1.33}$ $Mn_{1.67}$ / $O_{4}$ respectively. Li in the manganese oxides is highly ionized in both sites, but the net charge of Li was greater for tetrahedral sites than octahedral. These calculations suggest that the tetrahedral sites have higher $Li^{+}$ $H^{+}$ exchangeability than the octahedral sites, and are preferable for the selective adsorption for L $i^{+}$ ions.s.

• 분석과학
• /
• 제7권3호
• /
• pp.271-276
• /
• 1994

셀룰로스에 대한 +2와 +3가 금속이온들의 흡착성을 최적 조건에서 실험하였는데, +2가 금속이온으로 Cu(II), Zn(II), Pb(II) 및 Cd(II) 이온을 선택하였으며, +3가 금속이온으로 Cr(III)와 Fe(III) 이온을 선택하여 실험하였다. 셀룰로스에 대한 흡착능을 증대시키기 위하여 셀룰로스를 2M NaOH로 처리하여 Na-셀룰로스를 제소하였다. 셀룰로스에 대한 금속이온 흡착능은 매우 작아서 고분자 흡착제로서의 효과가 없었으나 Na-셀룰로스는 고분자 흡착제로서 매우 효과적이었다. Na-셀룰로스에 대한 금속이온들의 흡착은 뱃치법으로 실험하였다. 최적 조건에서 Na-셀룰로스에 대한 금속이온들의 흡착은 +2가 금속이온들은 1:2, +3가 금속이온들은 1:3의 흡착비로 흡착하는 이온교환 흡착이었다. Na-셀룰로스에 대한 금속이온들의 흡착엔탈피는 -18kcal/mol 정도였으며, carboxymethylcellulose(CMC)와 Dowex 50W-X8 수지와 비교 실험한 결과, Na-셀룰로스에 대한 금속이온들은 흡착은 이온교환흡착으로, 비슷한 작용기를 가지고 있는 CMC와 비슷한 흡착엔탈피를 보였다.

• 한국수산과학회지
• /
• 제46권4호
• /
• pp.351-358
• /
• 2013

A protease inhibitor from fish eggs was fractionated using chromatographic methods. The fractionation efficiency was evaluated in terms of specific inhibitory activity (SIA, U/mg), purity (fold), total inhibitory activity (TIA, U), and recovery (%). The protease inhibitor (PI) from egg extracts of skipjack tuna (ST Katsuwonus pelamis), yellowfin tuna (YT Thunnus albacares) and Alaska pollock (AP Theragra chalcogramma) was fractionated using Sephadex G-50 gel filtration and DEAE-Sepharose CL-6B anion exchange chromatography based on protein size exclusion and net charge, respectively. Fractions exhibiting strong inhibitory activity were contained in the 30-50 kDa fraction on gel filtration and in the range of 0.4-0.7 M NaCl gradient fraction on anion exchange chromatography. The respective TIA and percent recovery of the fraction obtained with gel filtration toward trypsin and $N{\alpha}$-benzoyl-L-arginine-p-nitroanilide (BAPNA) were 2,758.7 U and 29.6% for ST, 1,005.5 U and 25.6% for YT, and 1,267.5 U and 26.0% for AP. Gel filtration chromatography was more effective at fractionating PI than using ion exchange chromatography. These results suggest that fish eggs act as serine protease inhibitors and might be useful for protease inhibition in foodstuffs.

• Asian-Australasian Journal of Animal Sciences
• /
• 제17권12호
• /
• pp.1712-1716
• /
• 2004

Copper-bearing montmorillonite (Cu-MMT) was produced by $Cu^{2+}$ cation exchange reaction. X-ray diffraction analysis showed that that the (001) basal spacing of the MMT crystal lattice increased from 1.544 to 1.588 nm after $Cu^{2+}$ exchange. This indicated that $Cu^{2+}$ entered into interlayer position of MMT as a hydrated cation or composite cation. In vitro results indicated that Cu-MMT had antibacterial activity on Escherichia coli $K_{88}$. Cu-MMT had unbalanced positive charge after cation exchange. Its antibacterial activity resulted from two aspects, one was electrostatic attraction which made E. coli $K_{88}$ being adhered on the montmorillonite surface, the other was the $Cu^{2+}$ slowly released, which could kill bacteria. In an in vivo study, four replicates of eight weanling pigs were assigned to each of two dietary treatments to study the effects of Cu-MMT on diarrhea, E. coli in the lumen of the jejunum and morphology of jejunal mucosa. As compared to the control, supplementation of the diet with 0.2% Cu-MMT improved average daily gain by 12.50% (p<0.05) and decreased F/G by 9.42% (p<0.05). The mean diarrhrea incidence was decreased by 71.80% (p<0.05). The viable counts of Escherichia coli in jejunal contents were significantly reduced (p<0.05). Villus height and the villus height to crypt depth ratio at the jejunal mucosa were increased by 19.09% (p<0.05) and 37.10% (p<0.05), respectively.

• 한국수소및신에너지학회논문집
• /
• 제23권4호
• /
• pp.323-329
• /
• 2012

A thermal management system of a proton exchange membrane fuel cell is taken charge of controlling the temperature of fuel cell stack by rejection of electrochemically reacted heat. Two major components of thermal management system are heat exchanger and pump which determines required amount of heat. Since the performance and durability of PEMFC system is sensitive to the operating temperature and temperature distribution inside the stack, it is necessary to control the thermal management system properly under guidance of operating strategy. The control study of the thermal management system is able to be boosted up with hardware in the loop simulation which directly connects the plant simulation with real hardware components. In this study, the plant simulation of fuel cell stack has been developed and the simulation model is connected with virtual data acquisition system. And HIL simulator has been developed to control the coolant supply system for the study of PEMFC thermal management system. The virtual data acquisition system and the HIL simulator are developed under LabVIEWTM Platform and the Simulation interface toolkit integrates the fuel cell plant simulator with the virtual DAQ display and HIL simulator.

• Korean Chemical Engineering Research
• /
• 제51권5호
• /
• pp.556-560
• /
• 2013

최근에 저가의 고분자전해질 연료전지(Proton Exchange Membrane Fuel Cells, PEMFC)용 비불소계 전해질 막 연구개발이 활발히 진행되고 있다. 본 연구에서는 PEMFC 운전 조건에서 Poly(arylene ether sulfone)(PAES) 막과 불소계막의 특성을 비교하였다. I-V 분극곡선, 수소투과도, 전기화학적 표면적, 막저항 및 부하 전달 저항 등을 측정 분석했다. PAES 막은 상대습도 100%에서는 불소계 막과 비슷한 성능을 보였으나 낮은 상대습도에서 이온전도도가 낮아 성능감소가 컸다.