• Title/Summary/Keyword: Multicomponent reaction

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Hydrogen Absorption by Laves Phase Related BCC Solid Solution Alloys

  • Akiba, Etsuo
    • Transactions of the Korean hydrogen and new energy society
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    • v.8 no.3
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    • pp.101-109
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    • 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.

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Influence of VOCs Structure on Catalytic Oxidation Kinetics (휘발성 유기화합물(VOCs)의 촉매산화 전환에서 결합구조의 영향 및 속도특성)

  • 이승범;윤용수;홍인권;이재동
    • Journal of environmental and Sanitary engineering
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    • v.15 no.4
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    • pp.44-51
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    • 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.

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Brønsted Acidic Ionic Liquids as Efficient Catalysts for Clean Synthesis of Carbamatoalkyl Naphthols

  • Tavakoli-Hoseini, Niloofar;Heravi, Majid M.;Bamoharram, Fatemeh F.;Davoodnia, Abolghasem
    • Bulletin of the Korean Chemical Society
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    • v.32 no.3
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    • pp.787-792
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    • 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.

Can Artificial Intelligence Boost Developing Electrocatalysts for Efficient Water Splitting to Produce Green Hydrogen?

  • Jaehyun Kim;Ho Won Jang
    • Korean Journal of Materials Research
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    • v.33 no.5
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    • pp.175-188
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    • 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.

Experimental and Theoretical Studies on the Tautomerism in 2-Aminopyridines and 2(1H)-Pyridinones: Synthesis of 2-Amino-4-aryl-3-cyano-6-(3,4-dimethoxyphenyl)pyridines and 4-Aryl-3-cyano-6-(3,4-dimethoxyphenyl)-2(1H)-pyridinones

  • Davoodnia, Abolghasem;Attar, Paria;Morsali, Ali;Eshghi, Hossein;Tavakoli-Hoseini, Niloofar;Khadem, Shahriar
    • Bulletin of the Korean Chemical Society
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    • v.32 no.6
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    • pp.1873-1878
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    • 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.

Easy-to-execute 'One-pot' Synthesis of 1,2,4,5-Tetrazines Catalyzed by Activated Fly Ash (활성화된 비산회 촉매를 이용하여 간단히 수행된 1,2,4,5-Tetrazines의 One-pot 합성)

  • Gopalakrishnan, M.;Thanusu, J.;Kanagarajan, V.
    • Journal of the Korean Chemical Society
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    • v.51 no.6
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    • pp.520-525
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    • 2007
  • Three-component coupling of thiourea/urea, various structurally diverse aromatic aldehydes and ammonium acetate is catalyzed by activated fly ash in dry media under microwave irradiation to give 6-aryl-1,2,4,5-tetrazinan- 3-thiones/ones in good yields. The structure of 6-aryl-1,2,4,5-tetrazinan-3-thiones/ones have been elucidated on the basis of their melting points, elemental analysis, MS, IR, 1H NMR, D2O exchange, 13C NMR and two dimensional NMR spectral studies including Homonuclear Correlation (HOMOCOR) and Heteronuclear Single Quantum Correlation (HSQC) spectra.

Synthesis of Imidazo[1,2-a]pyridines and Pyrido[1,2-a]pyrimidines in Water and their SNAr Cyclizations

  • Chanu, Langpoklakpam Gellina;Singh, Thokchom Prasanta;Jang, Yong Ju;Yoon, Yong-Jin;Singh, Okram Mukherjee;Lee, Sang-Gyeong
    • Bulletin of the Korean Chemical Society
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    • v.35 no.4
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    • pp.994-1000
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    • 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.

Preparations of PZT Ceramic by Solution Combustion Synthesis (용액연소합성방법에 의한 PZT세라믹의 제조)

  • 이상진;윤존도;권혁보;전병세
    • Journal of the Korean Ceramic Society
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    • v.39 no.1
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    • pp.74-78
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    • 2002
  • In this study, the solution combustion method was employed to synthesize perovskite PZT ceramics. Multicomponent oxides can be prepared by the solution combustion synthesis using redox exothermic reaction of precursor solutions. The results of DTA/TG showed exothermic peaks in 214$^{\circ}C$ and 350$^{\circ}C$. Those were caused by the differences of the thermal decomposition behavior of oxidizer and fuel. The combustion reaction was completed at 370$^{\circ}C$ during heating procedure, but the product was not transformed into perovskite. The thermal decomposition behavior of both oxidizer and fuel were considered during solution combustion process at 600$^{\circ}C$, which showed tetragonal single phase PZT ceramics with 50 nm crystalline size. The lattice constant a was 3.997 ${\pm}$ 0.001 ${\AA}$ and the lattice constant c was 4.147${\pm}$0.001 ${\AA}$.

Genesis of Bonanza-style Ores in Uichang Area, Changwon City: Geochemical Interpretation by Reaction Path Modeling (창원시 의창지역 보난자형 금광상 성인 : 반응경로 모델링에 의한 지구화학적 해석)

  • Lee, Seung-han;No, Sang-gun;Park, Maeng-Eon
    • Economic and Environmental Geology
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    • v.50 no.2
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    • pp.85-96
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    • 2017
  • Gold mineralization of Samjeong and Yongjang gold mines in Uichang area shows characteristics of Bonanza-type gold deposits. Ores are mainly developed along the contact parts between quartz vein and arkosic sandstone beds(Fe-rich bed) in sedimentary rock. Electrum, silver sulfide and sulfate minerals are mainly in the ores. On the other hand, gold mineralization is less developed in cherty rock and andesitic rock than arkosic sandstone. The study highlights characteristics of gold precipitation in the deposit on the basis of numerical modelling of the reactions between the assumed hydrothermal ore fluids with multicomponent heterogeneous equilibrium calculations. Aqueous species, gases and minerals, containing electrum are included in the calculations. The reaction result between hydrothermal ore fluids and arkosic sandstone show that pH increasing in the ore-forming fluid would trigger precipitation of quartz, chlorite, sericite, chalcopyrite, galena, pyrite, electrum, actinolite and feldspar. The numerical modelling also illustrates the drastic increase of pH and desulfidation lead to precipitation of electrum. Ag/Au ratios in the ore vary with pH conditions and subsequently precipitation of silver-bearing sulfides such as acanthite and polybasite. The modelling of the reaction between andesitic rock and ore-forming fluid shows that mineral assemblages of the case are analogous to ones of the reaction between arkosic sandstone and fluid except the latter has little portion of electrum. The abovementioned modelling results suggest that gold-silver mineralization is bounded by host rocks at the study area.

Effect of Tungsten on Selective Oxidation of Acrolein with Mo-V-W-O Mixed Oxide Cataysts (Mo-V-W-O 촉매상에서 아크로레인의 선택산화반응에 대한 텅스텐의 영향)

  • Na, Suk-Eun;Park, Dae-Won;Chung, Jong-Shik
    • Applied Chemistry for Engineering
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    • v.4 no.2
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    • pp.308-317
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    • 1993
  • The study is related to the synthesis of acrylic acid by selective oxidation of acrolein on Mo-V-W multicomponent mixed oxide catalysts. Mo-V-W-O(WVM), Mo-V-O/Mo-W-O(VM/WM), Mo-W-O/Mo-V-O(WM/VM) and mechanical mixtures of Mo-V-O and Mo-W-O(M-VM+WM) were prepared and characterized by BET, XRD, SEM and EPMA. Catalytic activity of these catalysts was tested in a continuous fixed bed reactor. In WVM catalysts small amount of tungsten added to VM increased surface area and selectivity of acrylic acid, but excess amount of tungsten decreased reaction rate of acrolein and selectivity. VM/WM catalysts, VM supported on WM, showed higher activity and selectivity than WM/VM catalysts where WM is supported on VM. Phase cooperation between WM and VM was observed in mechanical mixture of WM and VM and they showed higher yield than WM or VM.

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