• Korean Chemical Engineering Research
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• 제55권2호
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• pp.270-274
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• 2017

본 연구에서는 양자 역학 계산 이론 중 하나인 Density Functional Theory (DFT)를 사용하여 $Pd/Pd_3Fe$ 촉매 표면에서 개미산(HCOOH) 분해 반응으로부터 수소를 생산하는 반응 메커니즘을 분석하였다. 기존 연구에 따르면, 단일 원자 촉매 중에서 개미산 분해 반응에 가장 높은 수소 생산성을 기록하는 원자는 Pd 촉매이지만, 부 반응으로 생산되는 CO가 Pd에 독성을 띄우기 때문에 Pd 촉매의 성능을 저하시킨다. 이러한 단점을 극복하고자, Pd를 기반으로 Pd와 Fe를 3:1로 합금하여 $Pd_3Fe$가 코어(core) 형태로 존재하고 Pd가 표면에 위치한 core-shell $Pd/Pd_3Fe$ 촉매를 설계하여 개미산 분해 반응에 의한 수소 생산 속도를 계산하였다. 순수 Pd촉매 보다 $Pd/Pd_3Fe$ 촉매의 수소 생산 반응의 활성 에너지가 감소하였다. 그 이유는 Pd와 Fe가 합금화 되면서 $Pd_3Fe$의 격자 상수가 $2.76{\AA}$로 줄어 들어 HCOO의 흡착에너지를 0.03 eV 감소시켰고, Fe에서 표면 Pd로 전자가 이동하면서 표면 전자 구조가 변화하여 HCOO의 흡착에너지를 0.29 eV 낮추었기 때문이다. 본 연구에서 제안하는 결과를 바탕으로 추후 개미산으로부터 수소 생산이 더 용이한 새로운 촉매 설계 메커니즘을 제안하고자 한다.

• 한국주조공학회지
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• 제32권2호
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• pp.98-103
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• 2012

Recently, development of Al-based alloys for high mechanical performance has been an important issue in automotive industry. The present study focused on the design of a high strength Al-based alloy for rheo-diecasting. The research was based on thermodynamic calculation and experimentals to optimize the alloy compositions. Two important considerations were carried out: i) to obtain uniform slurry with fine and globular microstructures for rheo-diecasting, ii) to be strengthend by T6 heat treatment. In order to evaluate the effect of Si content on the slurry microstructure and castability, thermodynamic calculation and fluidity test were carried out. The effects of various alloying components, such as Mg, Cu and Zn, on age hardenability were also investigated. The mechanical properties of the rheo-diecasting products using the newly developed alloy are 324MPa in tensile strength, 289MPa in yield strength, and 11.2% in elongation after T6 heat treatment.

• 한국수소및신에너지학회논문집
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• 제7권1호
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• pp.19-28
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• 1996

Ti-Mn based hydrogen storage alloy were modified by substituting alloying elements such as Zr, V and Ni in order to design a high capacity MH electrode for Ni/MH rechargeable battery. When V was substituted in Ti-Mn binary system, the crystal structure was maintained as $Cl_4$ Laves phase at a composition of $Ti_{0.2}V_{0.4}Mn_{0.4}$ and $Ti_{0.4}V_{0.2}Mn_{0.4}$ and equilibrium pressure decreased below 1 atm without decreasing hydrogen storage capacity considerably. It was found that Ni should be included in Ti-V-Mn alloy in order to hydrogenate it electrochemically in KOH electrolyte. But substitution of Ni for Mn in Ti-V-Mn system caused the increase of equilibrium pressure above 1atm and decrease of hydrogen storage capacity. Zr was able to increase the reversible hydrogen storage capacity of Ti-V-Mn-Ni alloy without considerable change of hydrogenation properties. The electrochemical discharge capacity of Ti-Zr-V-Mn-Ni system were in the range of 350 - 464mAh/g and among them $Ti_{0.8}Zr_{0.2}V_{0.5}Mn_{0.5}Ni_{1.0}$ alloy had $Cl_4$ Laves single phase and very high electrochemical discharge capacity of 464mAh/g.

• 한국주조공학회지
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• 제33권1호
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• pp.22-31
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• 2013

In order to develop an aluminum alloy, that can combine high thermal conductivity and good castability and anodizability, aluminum alloys with low Si content, such as Al-(0.5~1.5)Mg-1Fe-0.5Si and Al-(1.0~1.5)Si-1Fe-1Zn, were designed. The developed aluminum alloys exhibited 170~190% thermal conductivity (160~180 W/mK), 60~85% fluidity, and equal or higher ultimate tensile strength compared with those of the ADC12 alloy. In each developed alloy system, the thermal conductivity decreased and the strength increased with the increment of Mg and Si, which are the significant alloying elements. The fluidity was in reverse proportion to the Mg content and in proportion to the Si content. The Al-(0.5~1.5)Mg-1Fe-0.5Si alloys exhibited better fluidity in thick-wall castings, while the Al-(1.0~1.5)Si-1Fe-1Zn alloys were better in thin-wall castability due to their lower surface energies. The fluidity behavior was complexly affected by the heat release for the solidification, viscosity, solidification range, and the type, quantity, and formation juncture of the main secondary phase.

• 전기화학회지
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• 제3권2호
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• pp.72-75
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• 2000

For the purpose of developing the non-stoichiometric Zr-based Laves phase alloy with higher capacity and better performance for electrochemical application, extensive work has been carried out in KAIST. After careful alloy design of $ZrMn_2-based$ hydrogen storage alloys through varing their stoichiometry while susbstituting or adding some alloying elements, the $Zr-Ti-(Lh-V-Ni)_{2.2},\;Zr-Ti-(Mn-V-Cr-Ni)_{1.8\pm0.1}$ with high capacity and better performance was developed. Consequently the $Zr-Ti-(Mn-V-Ni)_{2.2}$ alloy has a high discharge capacity of 394mAh/g and shows a high rate capability equaling to that of commercialized $AB_5$ type alloys. On the other hand, in order to develop the hydrogen storage alloy with higher discharge capacity, the hypo-stoichiometric $Zr(Mn-V-Ni)_{2-\alpha}$ alloys substituted by Ti are under developing. As the result of competitive roles of Ti and $stocihiometry({\alpha})$, the discharge capacity of $Zr-Ti-(Mn-V-Cr-Ni)_{l.8\pm0.1}$ alloys is about 400mAh/g(410 mAh/g, which shows the highest level of performance in the Zr-based alloy developed. Our sequential endeavor is improving the shortcoming of Zr-based Laves phase alloy for commercialization, i.e., poor activation property and low rate capability, etc. It is therefore believed that the commercialization of Zr-based Laves phase hydrogen storage alloy for Ni-MH rechargeable battery is in near future.

• 한국수소및신에너지학회논문집
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• 제13권4호
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• pp.270-278
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• 2002

Mg and Mg alloys are attractive hydrogen storage materials because of their lightweight and high absorption capacity. Their range of applications could be further extended if their hydrogenation properties and degradation behavior could be improved, The main emphasis of this study was to find an economic manufacturing method for Mg-Ti-Ni-H systems, and to investigate their hydrogenation properties, In order to examine hydrogenation behavior, a Sieverts type automatic pressure-composition-isotherm(PCI) apparatus was used and the experiments were performed at 423, 473, 523, 573, 623 and 673K. The results of thermogravimetric analysis(TGA) reveal that the absorbed hydrogen contents are around 2.5 wt% for ($Mg_9Ti_1$)-10 wt% Ni. With increased Ni content, the absorbed hydrogen content decreases to 1.7 wt%, whereas the dehydriding starting temperatures are lowered by some 70-100K. The results of PCI on ($Mg_9Ti_1$)-20 wt% Ni show that its hydrogen capacity is around 5.3 wt% and its reversible capacity and plateau pressure are also excellent at 523K and 573K. In addition, the reaction enthalpy, $\Delta$HD.plateau, is $30.6{\pm}5.7kJ/molH_2$.

• 한국재료학회지
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• 제28권6호
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• pp.365-369
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• 2018

We perform density functional theory calculations to study the CO and $O_2$ adsorption chemistry of Pt@X core@shell bimetallic nanoparticles (X = Pd, Rh, Ru, Au, or Ag). To prevent CO-poisoning of Pt nanoparticles, we introduce a Pt@X core-shell nanoparticle model that is composed of exposed surface sites of Pt and facets of X alloying element. We find that Pt@Pd, Pt@Rh, Pt@Ru, and Pt@Ag nanoparticles spatially bind CO and $O_2$, separately, on Pt and X, respectively. Particularly, Pt@Ag nanoparticles show the most well-balanced CO and $O_2$ binding energy values, which are required for facile CO oxidation. On the other hand, the $O_2$ binding energies of Pt@Pd, Pt@Ru, and Pt@Rh nanoparticles are too strong to catalyze further CO oxidation because of the strong oxygen affinity of Pd, Ru, and Rh. The Au shell of Pt@Au nanoparticles preferentially bond CO rather than $O_2$. From a catalysis design perspective, we believe that Pt@Ag is a better-performing Pt-based CO-tolerant CO oxidation catalyst.

• 한국산학기술학회논문지
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• 제7권3호
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• pp.506-511
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• 2006

은은 주조성과 가공성이 뛰어나 장신구 제작에 주된 소재로 채택되어 왔다. 이런 은 소재 자체의 장점을 이용한 전통적인 방법 중 하나인 모꾸메가네는 나뭇결무늬와 같은 자연스러운 금속의 혼합문양을 표현할 수 있어서 부가가치가 높지만 제작 공정이 복잡하고 힘들어서 경제적으로 장신구를 제작하는데 어려움이 있었다. 기존의 모꾸메가네 공정 대신 은과 구리의 융점차를 이용한 변형 주조 방법과 냉간압연으로 구리와 은 두 금속간의 우수한 결합을 유지하면서도 기존의 모꾸메가네와 유사한 표면 장식 효과를 얻을 수 있는 새로운 공정을 제안해 보았다. 직경 3 mm의 구리 그래뉼과 0.5 mm, 1.5 mm 두께의 구리 판재에 순은 용탕을 부어 두 금속간의 확산 접합이 완성된 괴를 만들고, 이후 롤러 압연을 실시하여 두께 1.5 mm의 판재를 만들어서 이를 이용하여 반지 시제품을 제작한 결과, 제안된 공정으로 이종 금속 접합도가 우수하면서 모꾸메가네와 유사한 효과를 성공적으로 낼 수 있었다. 제안된 공정은 기존의 반복된 열간 가공에 의한 복잡한 모꾸메가네 공정에 비해 보다 간단하고 경제적으로 모꾸메가네 효과를 갖는 은 장신구 디자인을 가능하게 함을 확인하였다.

• 전기학회논문지
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• 제63권8호
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• pp.1070-1074
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• 2014

With the development of the electronics industry and widespread supply of many different electrical appliances, the factors of the electrical fires are also diversified. For this reason, the fuse, safety-critical component, needs accurate and stable operating characteristics for preventing various fire factor, and also needs various operating characteristics. Especially when the all electrical resistance are dropped by internal short of circuit, high current inrushes and makes the fire. In order to prevent this, very fast acting fuses should be applied. However, existing very fast acting characteristics fuse has less wire dimension of element Ag100% metal than that of fast acting fuse, and it is made of plating with low melting point metals, so it satisfy very fast acting but it can't satisfy durability and safety. For this reason, in this study, through the analyzing fusing characteristics of Ag-Cu alloy composition, the new alloy composition, which implement to very fast acting fuse without decrease of fuse elements dimension, is suggested. And this study classify the operating characteristics changes, a resistance change, and the rated current of the fuse in the overall composition change of Ag-Cu alloying. and it can be utilized for designing fuse.

• 분석과학
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• 제9권2호
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• pp.192-197
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• 1996

현재 사용되고 있는 생체용 금속재료로 스테인레스강(SUS 316), Co-Cr강, 순수 Ti, Ti-6Al-4V이 많이 사용되고 있으며 그 중에서도 특히 Ti이 각광을 받고 있다. 그러나 순수한 Ti은 생체적합성과 내식성은 좋은 반면 기계적 성질이 합금에 비해 뒤떨어지고, Ti-6Al-4V은 V의 세포독성이 지적되고 있어 이러한 문제를 해결하기 위해 세포독성이 없는 함금원소를 Ti에 첨가한 새로운 합금을 설계하였다. 그 중에서 Ti-20Zr-3Nb-3Ta-0.2Pd-1In과 Ti-5AI-4Zr-2.5Mo은 기계적 성질도 뛰어나고 우수한 전기화학적 부식특성을 가지고 있었다.