• 한국수소및신에너지학회논문집
• /
• 제8권3호
• /
• pp.101-109
• /
• 1997

We propose a new concept of hydrogen absorbing alloy, "Laves phase related BCC solid solution". It was firstly found among the phases tormed in multicomponent nominal $AB_2$ alloys which consisted of Zr and Ti for the A metal site and 5A, 6A and 7A transition metals for the B metal sites. In these alloys a BCC solid solution often coexisted with a Laves phase. It showed stability of hydrides and reaction kinetics almost identical to intermetallics such as Laves phase alloys. We prepared an almost pure "Laves phase related BCC solid solution" and found that it had a large hydrogen capacity (more than 2 mass%) and fast hydrogen absorption and desorption kinetics at ambient temperature and pressure. This new hydrogen absorbing alloy may open a new era of hydrogen related application such as hydrogen vehicles.

• 환경위생공학
• /
• 제15권4호
• /
• pp.44-51
• /
• 2000

The reactivity of a range of volatile organic compounds with differing functional groups observed over 0.5% $Pt/{\gamma}-Al_2O_3$ catalyst. In general, the reactivity pattern observed was alcohols > aromatics > ketones > cycloalkane > alkanes. The deep conversion was increased as reaction temperature was increased. A correlation was found between the reactivity of the individual and the strength of the weakest C-Hbond in structure. The conversion of volatile organic compounds increases in order methanol > benzene > cyclohexane > MEK > n-hexane. That is the effect of differences in total dissociation energy. An apparent zeroth-order kinetics with respect to inlet concentration have been observed. A simple multicomponent model based on two-stage redox model made reasonably good predictions of conversion over the range of parameters studied. thus, the catalytic process was suggested as the new VOCs control technology.

• Bulletin of the Korean Chemical Society
• /
• 제32권3호
• /
• pp.787-792
• /
• 2011

Under mild conditions and without any additional organic solvent, synthesis of carbamatoalkyl naphthols could be carried out in the present of two halogen-free Br${\phi}$nsted acidic ionic liquids, 3-methyl-1-(4-sulfonic acid)butylimidazolium hydrogen sulfate and N-(4-sulfonic acid)butylpyridinium hydrogen sulfate. A wide range of aromatic aldehydes easily undergo condensation with $\beta$-naphthol and methyl or benzyl carbamate to afford the desired products of good purity in excellent yields. The present methodology offers several advantages such as a simple procedure with an easy work-up, short reaction times, and excellent yields. The catalysts could be recycled and reused for several times without substantial reduction in their catalytic activities.

• 한국재료학회지
• /
• 제33권5호
• /
• pp.175-188
• /
• 2023

Water electrolysis holds great potential as a method for producing renewable hydrogen fuel at large-scale, and to replace the fossil fuels responsible for greenhouse gases emissions and global climate change. To reduce the cost of hydrogen and make it competitive against fossil fuels, the efficiency of green hydrogen production should be maximized. This requires superior electrocatalysts to reduce the reaction energy barriers. The development of catalytic materials has mostly relied on empirical, trial-and-error methods because of the complicated, multidimensional, and dynamic nature of catalysis, requiring significant time and effort to find optimized multicomponent catalysts under a variety of reaction conditions. The ultimate goal for all researchers in the materials science and engineering field is the rational and efficient design of materials with desired performance. Discovering and understanding new catalysts with desired properties is at the heart of materials science research. This process can benefit from machine learning (ML), given the complex nature of catalytic reactions and vast range of candidate materials. This review summarizes recent achievements in catalysts discovery for the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). The basic concepts of ML algorithms and practical guides for materials scientists are also demonstrated. The challenges and strategies of applying ML are discussed, which should be collaboratively addressed by materials scientists and ML communities. The ultimate integration of ML in catalyst development is expected to accelerate the design, discovery, optimization, and interpretation of superior electrocatalysts, to realize a carbon-free ecosystem based on green hydrogen.

• Bulletin of the Korean Chemical Society
• /
• 제32권6호
• /
• pp.1873-1878
• /
• 2011

Under solvent-free conditions and in one-pot, a series of 2-amino-4-aryl-3-cyano-6-(3,4-dimethoxyphenyl)-pyridines and 4-aryl-3-cyano-6-(3,4-dimethoxyphenyl)-2(1H)-pyridinones were prepared using 3,4-dimethoxyacetophenone, an aldehyde, malononitrile (or ethyl cyanoacetate), and ammonium acetate in the presence of 3-methyl-1-(4-sulfonylbutyl)imidazolium hydrogen sulfate $[HO_3S(CH_2)_4MIM][HSO_4]$ (a Br${\o}$nsted acidic ionic liquid) as the catalyst in very short reaction time. The preference for the formation of more stable tautomers was consistence with the theoretical calculation using the Gaussian 03 program at the B3LYP hybrid density functional level.

• 대한화학회지
• /
• 제51권6호
• /
• pp.520-525
• /
• 2007

Thiourea/urea, 다양한 aromatic aldehydes, ammonium acetate의 세가지 요소를 가지고 마이크로파의 조 사하에서 무수조건의 활성화된 비산화재를 촉매로 사용하여 높은 수율의 6-aryl-1,2,4,5-tetrazinan-3-thiones/ones를 얻었 다. 6-aryl-1,2,4,5-tetrazinan-3-thiones/ones의 구조는 녹는점, MS, IR, 1H NMR, D2O 교환, 13C NMR, 이차원의 NMR 스펙트럼(HOMOCOR, HSQC)을 바탕으로 증명되었다.

• Bulletin of the Korean Chemical Society
• /
• 제35권4호
• /
• pp.994-1000
• /
• 2014

Synthesis of tetrahydroimidazo[1,2-a]pyridines and tetrahydropyrido[1,2-a] pyrimidines by a one-pot and three component reaction of ${\alpha}$-oxoketenedithioacetals, diamines and DMAD in water has been described. Different routes for accessing the desired compounds were examined and a few specially designed-substrates have been utilized further to afford the new imidazo and pyrido fused [1,8] naphthyridine tetracyclic compound by $S_NAr$ intramolecular cyclization.

• 한국세라믹학회지
• /
• 제39권1호
• /
• pp.74-78
• /
• 2002

본 연구에서는 전구체 용액의 산화환원 발열반응을 이용하여 다성분계 산화물을 제조할 수 있는 용액연소합성법을 이용하여 페로브스카이트 구조 PZT 세라믹스를 합성하고자 하였다. 산화제/환원제 전구체 혼합물의 열분석(DTA/TG) 결과 산화제와 환원제의 열분해 거동의 차이로 인해 214$^{\circ}C$와 35$0^{\circ}C$에서 발열 피크가 나타났다. PZT세라믹스 합성을 위한 승온 과정에서는 37$0^{\circ}C$에서 연소반응이 일어났으나, 페로브스카이트로의 상전이는 일어나지 않았다. 용액연소과정 중 산화제와 연료의 열분해 거동을 고려하여 $600^{\circ}C$에서 제조한 생성물은 결정크기가 50nm인 정방정의 단일상으로 이루어진 PZT세라믹스이었다. 격자상수를 측정한 결과 a는 3.997$\pm$0.001 $\AA$이었으며, c는 4.147$\pm$0.001 $\AA$으로 나타났다.

• 자원환경지질
• /
• 제50권2호
• /
• pp.85-96
• /
• 2017

의창지역의 삼정광산과 용장광산의 금광화작용은 보난자(Bonanza)형 금광상의 특성을 나타낸다. 광상은 퇴적암 내의 장석질 사암과 석영맥의 접촉부에서 주로 산출되며, 금과 은을 함유하는 광물은 에렉트럼과 더불어 은황화광물 및 황산염광물로 산출된다. 반면, 광상의 모암이 쳐트질 암석과 안산암인 경우에는 금광화작용이 장석질 사암의 경우보다 미약하게 발달된다. 이 연구에서는 금의 침전 특성을 파악하기 위하여 열수용액과 장석질 사암 및 안산암간의 수치모델링에 의한 다성분 다상계 평형계산을 실시하였다. 모델링에서는 함금은 광물인 에렉트럼 및 수용액상 또는 기상 원소들이 사용되었다. 반응경로 모델링 결과, pH가 증가함에 따라 석영, 녹니석, 견운모, 황동석, 방연석, 황철석, 에렉트럼, 양기석과 장석이 침전되었다. 또한, 에렉트럼은 모암과 광화용액 간의 반응에 의한 급격한 pH 증가와 탈황화작용에 의해 침전되었음을 확인하였다. 금 은비는 용액의 pH 조건이나 아칸다이트와 폴리바사이트와 같은 은황화 광물 침전에 의해 변화되었다. 한편, 안산암과 열수용액과의 반응에서 침전된 광물은 열수용액과 장석질 사암과의 반응에서 침전된 광물과 유사하지만 상대적으로 적은 양의 에렉트럼이 침전되었다. 이러한 연구결과로 미루어 볼 때 의창지역 보난자형 금광화작용의 부광대는 모암 규제에 의해 형성되었다고 판단된다.

• 공업화학
• /
• 제4권2호
• /
• pp.308-317
• /
• 1993

본 연구는 Mo-V-W 다성분 혼합산화물 촉매상에서 아크로레인의 선택산화에 의한 아크릴산의 합성에 관한 것이다. Mo-V-W-O(WVM), Mo-V-O/Mo-W-O(VM/WM), Mo-W-O/Mo-V-O(WM/VM) 그리고 Mo-V-O와 Mo-W-O의 기계적 혼합물 촉매(M-VM+WM)를 제조하여 BET, XRD, SEM, EPMA로 특성분석을 실시하였고 이들 촉매의 활성을 고정층 연속반응기에서 조사하였다. WVM 촉매의 경우 VM 촉매에 첨가된 소량의 텅스텐은 비표면적과 아크릴산의 선택도를 증가시켰으나 과량의 텅스텐은 아크로레인의 반응속도와 선택도를 감소시켰다. 담체로 사용한 WM 위에 VM이 존재하는 VM/WM 촉매의 활성과 선택도가 VM을 담체로 사용한 WM/VM 촉매보다 우수한 것으로 나타났고 WM과 VM의 기계적 혼합물 촉매는 상간협동 현상이 관찰되어 WM이나 VM 촉매보다 높은 수율을 나타내었다.