• Title/Summary/Keyword: catalytic effect

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Magnetic Properties and Electronic Structure of $Pt_3Ni$ (001), (110) and (111) Surfaces: Density Functional Study

  • Kumar, Sharma Bharat;Kwon, O-Ryong;Odkhuu, Dorj;Hong, Soon-Cheol
    • Proceedings of the Korean Magnestics Society Conference
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    • 2011.06a
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    • pp.129-129
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    • 2011
  • The limited understanding of the surface properties of $Pt_3Ni$ for the oxygen reduction reaction (ORR) in polymer electrolyte membrane fuel cell (PEMFC) has motivated the study of properties and electronic structures of seven layered $Pt_3Ni$ (001), (110), and (111) surfaces. The first principle method based on density functional theory (DFT) is carried out. It is found that the bulk $Pt_3Ni$ has a ferromagnetic ground state with the ordered fcc type L12 structure, which is in good agreement with other results. Non magnetic Pt has the induced magnetic moment due to the strong hybridization between 3d Ni and 5d Pt. The magnetic moment of Pt and Ni enhanced on the surface of each due to surface effect however the magnetic moment of surface Pt in the Pt-segregated Pt3Ni (111) decreased and the magnetic moment of Ni in Ni rich subsurface increased significantly. The calculated d band centers of Pt explain the possibilities for oxygen absorption and play the important roles in altering the catalytic properties. The spin polarized densities of states are presented in order to understand physical properties of Pt in different surfaces in detail.

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Enhanced NH3-SCR Activity of V/TiO2 Catalyst Prepared by Various Ball Mill Method (다양한 Ball Mill Method에 의해 제조된 V/TiO2 촉매의 NH3-SCR 활성 증진연구)

  • Kim, Dong Ho;Seo, Phill Won;Hong, Sung Chang
    • Clean Technology
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    • v.23 no.1
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    • pp.64-72
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    • 2017
  • In this study, the selective catalytic reduction (SCR) for NOx removal was investigated in the temperature range of $150{\sim}400^{\circ}C$. XRD, BET and XPS analyses to determine the structural properties and valence state characteristics of the catalyst were performed. Various ball mill method were shown to a difference in activity at a low temperature below $250^{\circ}C$. Based on the catalyst with the highest denitrification efficiency, the ball mill time was the best result at 3 h. As a result of XPS analysis, the presence of the non-stoichiometric vanadium species and the increase of the number of atoms were attributed to a positive effect in the SCR reaction. it was confirmed that the correlation between the amount of lattice oxygen and the denitrification efficiency through the $O_2$ on-off experiment, and it was in a proportional relationship to each other.

Effect of Si/Al2 Ratio on 2-butanol Dehydration over HY Zeolite Catalysts (HY zeolite 촉매 상에서 Si/Al2 비가 2-Butanol 탈수반응에 미치는 영향)

  • Jung, Euna;Choi, Hyeonhee;Jeon, Jong-Ki
    • Korean Chemical Engineering Research
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    • v.53 no.1
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    • pp.116-120
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    • 2015
  • Synthesis of butenes through dehydration of 2-butanol was investigated over HY zeolite catalysts. 2-Butanol dehydration reaction was carried out in a fixed bed catalytic reactor. 2-Butanol conversion was increased with increase of $Si/Al_2$ ratio of HY zeolite catalysts, which can be ascribed to increase of acid strength with increase of $Si/Al_2$ ratio. Selectivities to 1-butene, trans-2-butene, and cis-2-butene were not greatly influenced by the change of the $Si/Al_2$ ratio of HY zeolite. As a result, it was advantageous to use a HY zeolite catalyst with 60 $Si/Al_2$ ratio for maximizing the yield of 1-butene in the dehydration of 2-butanol. The optimal reaction temperature for maximizing the yield of 1-butene was $250^{\circ}C$ over HY (60) catalyst.

An analysis of determinants for artificial intelligence industry competitiveness (인공지능 산업의 국가 경쟁력 결정요인 분석)

  • Hong, Jae-Pyo;Kim, Eun-Jung;Park, Ho-Young
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.21 no.4
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    • pp.663-671
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    • 2017
  • This study analyzed the determinants influencing competitiveness of artificial intelligence industry of Korea. Analysis showed that the factors having the greatest influence on the national competitiveness of the artificial intelligence industry were, in decreasing order of importance, R&D, capital, and ICT competitiveness. Given the capital-intensive characteristic of the artificial intelligence technology, it is important to enhance the national R&D capacity in artificial intelligence technology and ICT, and to make substantial investments in the establishment of related infrastructure. Considering that the development and utilization of ICT infrastructure serves as the basis for artificial intelligence technology, the high standards of Korean consumers are expected to have a positive catalytic effect on the acquisition of national competitiveness for the artificial intelligence industry. For companies to respond in a timely manner to the rapid dissemination and high impact of artificial intelligence technology, they must prepare for such advancements by improving their competencies.

Characteristics of Pt/C-based Catalysts for HI Decomposition in SI process (SI 공정에서 HI 분해를 위한 백금담지 활성탄 촉매의 특성)

  • Kim, J.M.;Kim, Y.H.;Kang, K.S.;Kim, C.H.;Park, C.S.;Bae, K.K.
    • Transactions of the Korean hydrogen and new energy society
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    • v.19 no.3
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    • pp.199-208
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    • 2008
  • HI decomposition was conducted using Pt/C-based catalysts with a fixed-bed reactor in the range of 573 K to 773 K. To examine the change of the characteristic properties of the catalysts, $N_2$ adsorption analyser, a X-ray diffractometer(XRD), and a scanning electron microscopy(SEM) were used before and after the HI decomposition reaction. the effect of Pt loading on HI decomposition was investigated by $CO_2$-TPD. HI conversion of all catalysts increased as decomposition temperature increased. The XRD analysis showed that the sizes of platinum particle became larger and agglomerated into a lump during the reaction. From $CO_2$-TPD, it can be concluded that the cause for the increase in catalytic activity may be attributed to the basic sites of catalyst surface. The results of both b desorption and gasification reaction showed the restriction on the use of Pt/C-based catalyst.

Electrooxidation of Zolpidem and its Voltammetric Quantification in Standard and Pharmaceutical Formulation using Pencil Graphite Electrode

  • Naeemy, A.;Sedighi, E.;Mohammadi, A.
    • Journal of Electrochemical Science and Technology
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    • v.7 no.1
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    • pp.68-75
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    • 2016
  • In this study a new, simple, precise, accurate and economic electrochemical method was developed and validated for the voltammetric determination of zolpidem (ZP) using disposable pencil graphite (PG) electrode. The anodic oxidation of ZP on the surface of the PG electrode was examined in a britton robinson (BR) buffer. Square wave and cyclic voltammetry were used as electrochemical techniques in the potential range of 0-1.2 V in the pH 8 BR buffer. In cyclic voltammetry studies, the diffusion coefficient of ZP oxidation was found to be 3.6×10-6 cm2 s-1. On the other hand, the ZP has shown a well-defined irreversible anodic peak at 0.98 V in the square wave voltammetry mode. The PG electrode, primarily being graphite which has a large active surface area gives rise to increasing peak current with respect to ZP electrooxidation. PG electrode showed an electrocatalytic effect in anodic oxidation of ZP. A linear relationship between catalytic current response and ZP concentration was obtained over a concentration range of 10-30 μM with R.S.D. values ranging from 0.29-3.89. Limits of detection and quantitation were found to be 1 and 3 μM, respectively. Finally, the PG electrode was successfully used to determine ZP in standard and tablet dosage forms with a mean recovery of 100.69 %.

Effect of Mixer Structure on Turbulence and Mixing with Urea-water Solution in Marine SCR System (선박용 SCR 시스템에서 혼합기 구조에 따른 난류유동과 우레아 수용액의 혼합특성)

  • Kim, Tae-Kyoung;Sung, Yon-Mo;Han, Seung-Han;Ha, Sang-Jun;Choi, Gyung-Min;Kim, Duck-Jool
    • Journal of Advanced Marine Engineering and Technology
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    • v.36 no.6
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    • pp.814-822
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    • 2012
  • To improve the flow and mixing characteristics of marine SCR system, two different mixer including up-down and swirl type mixer were considered. The purpose of this study is to analyse turbulence intensity and uniformity index in detail and to improve the performance of SCR with respect to the mixer structure. The results showed that, the concentration uniformity index is improved by about 5% with the utilization of both mixers in the front of catalyst part. Although the RMS value and relative turbulence intensity increased after the up-down type mixer, it could observed that the value of two parameters decreased with the flow proceeding forward to the downstream. For the case of swirl type mixer, the decrease of RMS value and relative turbulence intensity were relatively smaller than that of up-down type mixer, and uniform distribution of relative turbulence intensity was observed. As a results, it could be concluded that the mixing effects and the distance of the two kinds of mixer were different.

Incorporation of Titanium into H-ZSM-5 Zeolite via Chemical Vapor Deposition: Effect of Steam Treatment

  • Xu, Cheng-Hua;Jin, Tai-Huan;Jhung, Sung-Hwa;Hwang, Jin-Soo;Chang, Jong-San;Qiu, Fa-Li;Park, Sang-Eon
    • Bulletin of the Korean Chemical Society
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    • v.25 no.5
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    • pp.681-686
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    • 2004
  • Ti-ZSM-5 prepared by secondary synthesis, from the reaction of H-ZSM-5 with vapor phase $TiCl_4$, was characterized with several physicochemical techniques including FT-IR and UV/VIS-DRS. It was found that zeolite structure, surface area and pore volume did not change, and the framework aluminum could not be replaced by titanium atom during the secondary synthesis of Ti-ZSM-5. The incorporation of titanium into the framework might be due to reaction of $TiCl_4$with the silanol groups associated with defects or surface sites. The formation of extra-framework titanium could not be avoided, unless the samples were further treated by water vapor at 550 $^{\circ}C$ or higher temperature. High temperature steam treatment of Ti-ZSM-5 prepared by chemical vapor deposition with $TiCl_4$was efficient to prevent the formation of non-framework titanium species. Ti-ZSM-5 zeolites prepared in this work contained only framework titanium species and exhibited improved catalytic property close to TS-1 prepared by hydrothermal synthesis.

Metal Ion Catalysis in Nucleophilic Substitution Reaction of 4-Nitrophenyl Picolinate with Alkali Metal Ethoxides in Anhydrous Ethanol

  • Hong, Yeon-Ju;Kim, Song-I;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2483-2487
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    • 2010
  • Pseudo-first-order rate constants ($k_{obsd}$) were measured spectrophotometrically for nucleophilic substitution reactions of 4-nitrophenyl picolinate (6) with alkali metal ethoxides (EtOM, $M^+\;=\;K^+$, $Na^+$ and $Li^+$) in anhydrous ethanol at $25.0{\pm}0.1^{\circ}C$. The plot of $k_{obsd}$ vs. [EtOM] exhibits upward curvature regardless of the nature of $M^+$ ions. However, the plot for the reaction of 6 with EtOK is linear with significantly decreased $k_{obsd}$ values when 18-crown-6-ether (18C6, a complexing agent for $K^+$ ion) is added in the reaction medium. Dissection of $k_{obsd}$ into $k_{EtO^-}$ and $k_{EtOM}$ (i.e., the second-order rate constant for the reaction with dissociated $EtO^-$ and ion-paired EtOM, respectively) has revealed that ion-paired EtOM is 3~17 times more reactive than dissociated $EtO^-$. The reaction has been proposed to proceed through a 5-membered cyclic transition state, in which $M^+$ ion increases the electrophilicity of the reaction site. Interestingly, $Na^+$ ion exhibits the largest catalytic effect. The presence of a nitrogen atom in the pyridine moiety of 6 has been suggested to be responsible for the high $Na^+$ ion selectivity.

Effects of Comonomer and Various Polymerization Conditions on Terpolymerization (삼원공중합에 있어서 공단량체 및 여러 가지 중합조건이 미치는 영향)

  • Kim, Jung Soo;Jeon, Dong-Gyu;Kim, Tae-Wan;Kim, Hyun Ki;Kim, Dong Hyun
    • Elastomers and Composites
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    • v.48 no.4
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    • pp.263-268
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    • 2013
  • In this study, we prepared poly(ethylene-ter-1-hexene-ter-divinylbenzene) using bridged rac-$Et[Ind]_2ZrCl_2$ metallocene catalysts. The effect of 1-hexene on the terpolymerization rate was evaluated. When cocatalyst/catalyst molar ratio was 3,000, catalytic activity indicated more than 8,000 which was very remarkable value. As polymerization time increased, the weight-average molecular weight of the terpolymer gradually increased to some degree. In case of a polymerization time of 50 minutes, the terpolymer became amorphous state. The molecular weight distribution and densities of the terpolymer were 110,000-200,000 and $0.85-0.89g/cm^3$, respectively. Thermal properties and structure of the terpolymer were also identified.