• Clean Technology
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• 제22권1호
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• pp.35-44
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• 2016

In this study, a computational chemistry methodology called as molecular modeling was been applied to explain several experiment results mechanistically. The reaction chosen for this study was to remove carbon dioxide, known as a primary greenhouse gas, by an epoxide via the carbon dioxide fixation to produce carbonates. This reaction inherently needs the use of catalysts because it has a significantly high activation barrier (55~59 kcal/mol). Among various types of catalysts, we studied in zeolitic imidazolate framework 90 (ZIF-90)/ionic liquid immobilized ZIF-90 (IL-ZIF-90), polystyrene-supported quaternized ammonium salt, KI/KI-glycine, and dimethylethanolamine (DMEA). First, probable reaction pathways were proposed based on calculated energetics by computational chemistry. The energetics was then used for the thermodynamic interpretation on the activity of catalysts. In the case of ZIF-90/IL-ZIF-90 and KI/KI-glycine, IL-ZIF-90 and KI-glycine showed better yields compared to their counterparts. The calculation proposed interesting results that it is not from the lowering of activation energy but from the unstable intermediates of ZIF-90 and KI-glycine. For DMEA, the calculated activation energy was ~42 kcal/mol, much lower than that of the non-catalytic reaction. A possible reaction pathway was located to confirm the interaction between −NH group from ammonium and oxygen from epoxide for polystyrene-supported quaternized ammonium salt.

• Korean Chemical Engineering Research
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• 제48권3호
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• pp.304-310
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• 2010

The FTS(Fischer-Tropsch synthesis) was carried out over precipitated iron-based catalysts with or without $SiO_2$ in a fixed-bed reactor at $250^{\circ}C$ and 1.5 MPa. The catalysts with $SiO_2$ showed much higher catalytic activity for the FTS than those without $SiO_2$, displaying excellent stability during 144 h of reaction. The X-ray diffraction and $N_2$ physisorption revealed that the catalysts with $SiO_2$ showed enhanced dispersion of $Fe_2O_3$ compared with those without $SiO_2$. Also, the results of temperature-programmed reduction by $H_2$ showed that the addition of $SiO_2$ markedly promoted the reduction of $Fe_2O_3$ into $Fe_3O_4$ and FeO at low temperatures below $260^{\circ}C$. In contrast, surface basicity of the catalysts, which was analyzed by temperature-programmed desorption of $CO_2$, decreased as a result of $SiO_2$ addition. We attribute the high and stable performance of the catalysts with $SiO_2$ to the improved dispersion and reducibility by the $SiO_2$ addition.

• Korean Chemical Engineering Research
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• 제49권2호
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• pp.168-174
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• 2011

Various La-based perovskite catalysts were prepared by a Pechini method, and they were applied to the low-temperature oxidation of odor compounds exhausted from waste food treatment process for effective deodorization. Quantitative and qualitative analyses of exhausted gas were conducted to measure the amount of major odor compounds with respect to operation time. A standard odor sample composed of major odor compounds was then prepared for use as a feed for oxidation reaction system. Various transition metal(M)-substituted La-based perovskite catalysts ($LaMO_{3}$: M=Cr, Mn, Fe, Co, and Ni) were prepared and applied to the oxidation of odor compounds in order to investigate the $LaNiO_3$ catalyst showed the best catalytic performance. Pt-substituted perovskite catalysts ($LaNi_{1-x}Pt_{x}O_{3}$: x=0, 0.03, 0.1, and 0.3) were then prepared for enhancing the catalytic performance. It was found that $LaNi_{0.9}Pt_{0.1}O_{3}$ catalyst served as the most efficient catalyst. Supported perovskite catalysts ($XLaNi_{0.9}Pt_{0.1}O_{3}/Al_{2}O_{3}$: X=perovskite content(wt%), 0, 10, 20, 30, 40, 50, and 100) were finally applied for the purpose of maximizing the catalytic performance of perovskite catalyst in the low-temperature oxidation reaction. Catalytic performance of $XLaNi_{0.9}Pt_{0.1}O_{3}/Al_{2}O_{3}$ catalysts showed a volcano-shaped curve with respect to perovskite content. Among the catalysts tested, $20LaNi_{0.9}Pt_{0.1}O_{3}$/$Al_{2}O_{3}$ catalyst exhibited the highest conversion of odor compounds of 88.7% at $180^{\circ}C$.

• Journal of Electrochemical Science and Technology
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• 제2권4호
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• pp.187-192
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• 2011

Photoelectrochemical performances of ZnO electrodes are enhanced by coupling with cobalt-based catalyst (CoPi) in phosphate electrolyte (pH 7). For this study, hexagonal pillar-shaped ZnO nanorods are grown on ZnO electrodes through a chemical bath deposition, onto which CoPi is deposited with different photodeposition times (10-30 min). A scanning electron microscopic study indicates that CoPi deposition does not induce any change of ZnO morphology and an energy-dispersive X-ray spectroscopic analysis shows that inorganic phosphate ions (Pi) exist on ZnO surface. Bare ZnO electrodes generate the current of ca. $0.36mA/cm^2$ at a bias potential of 0.5 V vs. SCE, whereas ZnO/CoPi (deposited for 10 min) has ca. 50%-enhanced current ($0.54mW/cm^2$) under irradiation of AM 1.5G-light ($400mW/cm^2$). The excess loading of CoPi on ZnO results in decrease of photocurrents as compared to bare ZnO likely due to limited electrolyte access to ZnO and/or CoPi-mediated recombination of photogenerated charge carriers. The primary role of CoPi is speculated to trap the photogenerated holes and thereby oxidize water into molecular oxygen via an intervalency cycle among Co(II), Co(III), and Co(IV).

• Applied Chemistry for Engineering
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• 제31권6호
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• pp.668-673
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• 2020

In this work, ultrathin and two-dimensional (2D) cobalt hydroxide [Co(OH)2] nanosheets were synthesized by a sonication assisted liquid-phase exfoliation of bulk Co(OH)2. The resulting exfoliated Co(OH)2 is a hexagonal mono-layered nanosheet with a high specific surface area of 27.5 ㎡ g-1. The depolymerization of polyethylene terephthalate (PET) based on glycolysis reaction was also performed using an exfoliated Co(OH)2 catalyst. Excellent catalytic reaction performances were demonstrated; a high PET conversion and bis(2-hydroxyethyl) terephthalate (BHET) yield of both 100% using the nanosheet catalyst were achieved within a reaction time and temperature of 30 min and 200 ℃, respectively. The long-term stability of exfoliated Co(OH)2 catalysts was also demonstrated by recyclability tests of the catalyzed glycolysis reaction of PET over four cycles, showing both 100% of high PET conversion and BHET yield.

• International Journal of Automotive Technology
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• 제6권6호
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• pp.591-598
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• 2005

A three-way catalyst system of a natural gas vehicle (NGV) has characteristics of higher fuel consumption and higher thermal load than a lean-bum catalyst system. To meet stringent emission standards in the future, NGV with the lean-bum engine may need a catalyst system to reduce the amounts of HC, CO and NOx emission, although natural gas system has low emission characteristics. We conducted experiments to evaluate the conversion efficiency of the NOx reduction catalyst for the lean-burn natural gas engine. The NOx reduction catalysts were prepared with the ${\gamma}-Al_{2}O_3$ washcoat including Ba based on Pt, Pd and Rh precious metal. In the experiments, effective parameters were space velocity, spike duration of the rich condition, and the temperature of flowing model gas. From the results of the experiments, we found that the temperature for maximum NOx reduction was around $450^{\circ}C$, and the space velocity for optimum NOx reduction was around $30,000\;h^{-1}$ And we developed an evaluation model of the NOx reduction catalyst to evaluate the conversion performance of each other catalysts.

• Journal of Advanced Marine Engineering and Technology
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• 제29권7호
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• pp.722-728
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• 2005

In this paper, the effects of ethanol blended gasoline on emissions and their catalytic conversion efficiency characteristics were investigated in a multiple-point EFI gasoline engine, The results show that with the increase of ethanol concentration in the blended fuels, THC emissions were drastically reduced by up to thirty percent, And brake specific fuel consumption was increased, but brake specific energy consumption could be improved. However, unburned ethanol and acetaldehyde emissions increased. Pt/Rh based three-way catalysts were effective to reduce acetaldehyde emissions, but had low catalytic conversion efficiency for unburned ethanol. The effect of ethanol on CO and NOx emissions and their catalytic conversion efficiency had close relation to the engine's speed, load and air/fuel ratio. Furthermore fuels blended with thirty percent ethanol by volume could dramatically reduced THC CO and NOx emissions at idle speed.

• Journal of the Korea Academia-Industrial cooperation Society
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• 제19권3호
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• pp.112-118
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• 2018

In order to meet the strict emission regulations for internal combustion engines based on fossil fuel, the proportion of after-treatments for vehicles and vessels is gradually increasing. Diesel engines have high power, good fuel economy, and lower $CO_2$ emissions, and their market shares are increasing in commercial vehicles and passenger cars. However, NOx is generated in the localized high-temperature combustion regions, and particulate matter is formed in the zones of diffusion combustion. LNT and urea-SCR catalysts have been developed for after-treatment of the exhaust gas to reduce NOx in diesel vehicles. This study aims to improve the NOx reduction performance of Cu SCR catalyst, which is widely used in light, medium, and heavy-duty diesel engines. The de-NOx performance of $5Cu-2ZrO_2$/93Zeolyst(Si/Al=13.7) SCR catalyst was about 5-50% higher than that of $5Cu-2ZrO_2$/93Zeolite(Si/Al=2.9) at catalyst temperatures of $300^{\circ}C$ or higher. The zeolite had lower metal dispersion than zeolyst, and the reaction rate of the catalyst decreased as the average particle size increased. The $10Cu-2ZrO_2$/88Zeolyst catalyst loaded with 10wt% Cu had the highest NOx conversion rate of 40% at $200^{\circ}C$ and about 65% at $350^{\circ}C$. The ion exchange rate of Cu ions increased with that of Al, the crystalline compound of zeolite, and the de-NOx performance was improved by 20-40% compared to other catalysts.

• Journal of the Korea Academia-Industrial cooperation Society
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• 제13권4호
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• pp.1923-1930
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• 2012

Mn-Cu catalysts were tested for selective catalytic reduction of NOx with NH3. Influence of initial reaction temperature was studied for NOx conversion in which reaction temperature was changed three patterns. NOx conversion of catalysts calcined at 200, 300 and $340^{\circ}C$ was measured during the changing temperature. Hydrogen conversion efficiency of calcined catalysts was also measured in the $H_2$-TPR system. The deactivation effect of $SO_2$ on catalyst was investigated with the on-off control of $SO_2$ supply. The catalyst which calcined above $340^{\circ}C$ was somewhat deactivated with thermal shock. The reason of deactivation was draw from the results of surface area and hydrogen conversion.

• Bulletin of the Korean Chemical Society
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• 제33권9호
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• pp.2830-2844
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• 2012

This review covers recent developments in our group regarding the synthesis, characterization and applications of single-crystalline one-dimensional nanostructures based on a wide range of material systems including noble metals, metal silicides and metal germanides. For the single-crystalline one-dimensional nanostructures growth, we have employed chemical vapor transport approach without using any catalysts, capping reagents, and templates because of its simplicity and wide applicability. Au, Pd, and Pt nanowires are epitaxially grown on various substrates, in which the nanowires grow from seed crystals by the correlations of the geometry and orientation of seed crystals with those of as-grown nanowires. We also present the synthesis of numerous metal silicide and germanide 1D nanostructures. By simply varying reaction conditions, furthermore, nanowires of metastable phase, such as $Fe_5Si_3$ and $Co_3Si$, and composition tuned cobalt silicides (CoSi, $Co_2Si$, $Co_3Si$) and iron germanides ($Fe_{1.3}Ge$ and $Fe_3Ge$) nanowires are synthesized. Such developments can be utilized as advanced platforms or building blocks for a wide range of applications such as plasmonics, sensings, nanoelectronics, and spintronics.