• Title/Summary/Keyword: modified energy functional

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Electrosorption of U(IV) by Electochemically Modified Activated Carbon Fibers

  • Jung, Chong-Hun;Oh, Won-Zin;Lee, Yu-Ri;Park, Soo-Jin
    • Carbon letters
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    • v.6 no.1
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    • pp.25-30
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    • 2005
  • The electrosorption of U(VI) from waste water was carried out by using an activated carbon fiber (ACF) felt electrode in a continuous electrosorption cell. In order to enhance the electrosorption capacity at a lower potential, the ACF was electrochemically modified in an acidic and a basic solution. Pore structure and functional groups of the electrochemically modified ACF were examined, and the effects of the modification conditions were studied for the adsorption of U(VI). Specific surface area of all the ACFs was decreased by this modification. The amount of the acidic functional groups decreased with a basic modification, while the amount increased a lot with an acidic modification. The electrosorption capacity of U(VI) decreased on the acid modified electrode due to the shielding effect of the acidic functional groups. The base modified electrode enhanced the capacity due to a reduction of the acidic functional groups. The electrosorption amount of U(VI) on the base modified electrode at .0.3 V corresponds to that of the as-received ACF electrode at .0.9 V. Such a good adsorption capacity was due to a reduction of the shielding effect and an increase of the hydroxyl ions in the electric double layer on the ACF surface by the application of negative potential.

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Theoretical Investigation of Edge-modified Zigzag Graphene Nanoribbons by Scandium Metal with Pyridine-like Defects: A Potential Hydrogen Storage Material

  • Mananghaya, Michael
    • Bulletin of the Korean Chemical Society
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    • v.35 no.1
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    • pp.253-256
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    • 2014
  • Functionalization of zigzag graphene nanoribbon (ZGNR) segment containing 120 C atoms with pyridine (3NV-ZGNR) defects was investigated on the basis of density-functional theory (DFT) calculations, results show that edge-modified ZGNRs by Sc can adsorb multiple hydrogen molecules in a quasi-molecular fashion, thereby can be a potential candidate for hydrogen storage. The stability of Sc functionalization is dictated by a strong binding energy, suggesting a reduction of clustering of metal atoms over the metal-decorated ZGNR.

Selective adsorption of Ba2+ using chemically modified alginate beads with enhanced Ba2+ affinity and its application to 131Cs production

  • Kim, Jin-Hee;Lee, Seung-Kon
    • Nuclear Engineering and Technology
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    • v.54 no.8
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    • pp.3017-3026
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    • 2022
  • The 131Cs radioisotope with a short half-life time and high average radiation energy can treat the cancer effectively in prostate brachytherapy. The typical 131Cs production processes have a separation step of the cesium from 131Ba to obtain a high specific radioactivity. Herein, we suggested a novel 131Cs separation method based on the Ba2+ adsorption of alginate beads. It is necessary to reduce the affinity of alginate beads to cesium ions for a high production yield. The carboxyl group of the alginate beads was replaced by a sulfonate group to reduce the cesium affinity while reinforcing their affinity to barium ions. The modified beads exhibited superior Ba2+ adsorption performances to native beads. In the fixed-bed column tests, the saturation time and adsorption capacity could be estimated with the Yoon-Nelson model in various injection flow rates and initial concentrations. In terms of the Cs elution, the modified alginate showed better performance (i.e., an elution over 88%) than the native alginate (i.e., an elution below 10%), indicating that the functional group modification was effective in reducing the affinity to cesium ions. Therefore, the separation of cesium from the barium using the modified alginate is expected to be an additional option to produce 131Cs.

X-ray Photoelectron Spectroscopic Analysis of Modified MWCNT and Dynamic Mechanical Properties of E-beam Cured Epoxy Resins with the MWCNT

  • Lee, Young-Seak;Im, Ji-Sun;Yun, Seok-Min;Nho, Young-Chang;Kang, Phil-Hyun;Jin, Hang-Kyo
    • Carbon letters
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    • v.10 no.4
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    • pp.314-319
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    • 2009
  • The surface treatment effects of reinforcement filler were investigated based on the dynamic mechanical properties of mutiwalled carbon nanotubes (MWCNTs)/epoxy composites. The as-received MWCNTs(R-MWCNTs) were chemically modified by direct oxyfluorination method to improve the dispersibility and adhesiveness with epoxy resins in composite system. In order to investigate the induced functional groups on MWCNTs during oxyfluorination, X-ray photoelectron spectroscopy was used. The thermo-mechanical property of MWCNTs/epoxy composite was also measured based on effects of oxyfluorination treatment of MWCNTs. The storage modulus of MWCNTs/epoxy composite was enhanced about 1.27 times through oxyfluorination of MWCNTs fillers at $25^{\circ}C$. The storage modulus of oxyfluorinated MWCNTs (OF73-MWCNTs) reinforced epoxy composite was much higher than that of R-MWCNTs/epoxy composite. It revealed that oxygen content led to the efficient carbon-fluorine covalent bonding during oxyfluorination. These functional groups on surface modified MWCNTs induced by oxyfluorination strikingly made an important role for the reinforced epoxy composite.

Effect of surface modification of carbon felts on capacitive deionization for desalination

  • Lee, Jong-Ho;Ahn, Hong-Joo;Cho, Donghwan;Youn, Jeong-Il;Kim, Young-Jig;Oh, Han-Jun
    • Carbon letters
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    • v.16 no.2
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    • pp.93-100
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    • 2015
  • Surface modified carbon felts were utilized as an electrode for the removal of inorganic ions from seawater. The surfaces of the carbon felts were chemically modified by alkaline and acidic solutions, respectively. The potassium hydroxide (KOH) modified carbon felt exhibited high Brunauer-Emmett-Teller (BET) surface areas and large pore volume, and oxygen-containing functional groups were increased during KOH chemical modification. However, the BET surface area significantly decreased by nitric acid ($HNO_3$) chemical modification due to severe chemical dissolution of the pore structure. The capability of electrosorption by an electrical double-layer and the efficiency of capacitive deionization (CDI) thus showed the greatest enhancement by chemical KOH modification due to the appropriate increase of carboxyl and hydroxyl functional groups and the enlargement of the specific surface area.

Effect of Ar+ Ion Irradiation of Polymeric Fiber on Interface and Mechanical Properties of Cementitious Composites

  • Seong, Jin-Wook;Lee, Seung-Hun;Kim, Ki-Hwan;Beag, Young-Whoan;Koh, Seok-Keun;Yoon, Ki-Hyun
    • Journal of the Korean Ceramic Society
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    • v.41 no.6
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    • pp.430-434
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    • 2004
  • The values of fracture energy and mechanical flexural strength of Fiber Reinforced Cement (FRC) with polypropylene (PP) fiber modified by Ion Assisted Reaction (JAR), by which functional groups were grafted on the surface of PP fiber, was improved about 2 times as those of fracture energy and flexural strength of cement reinforced by untreated PP fiber. PP fiber was irradiated in O$_2$ environment by Ar$\^$+/ ion. The contact angle of PP treated by IAR decreased largely when compared with untreated PP. From this result, we expected that surface energy and interfacial adhesion force of treated PP fiber increased. The strain hardening occurred in the strain-stress curve of FRC including PP treated by IAR when compared with that of FRC with untreated PP. These enhanced mechanical properties might be due to strong interaction between hydrophilic group on modified PP fiber and hydroxyl group in cement matrix. This hydrophilic group on surface modified PP fiber was confirmed by XPS analysis. We clearly observed hydration products that were fixed at modified PP fiber due to the strong adhesion force of interface in cement reinforced modified PP by SEM (Scanning Electron Microscopy) study.

INFINITELY MANY SMALL ENERGY SOLUTIONS FOR EQUATIONS INVOLVING THE FRACTIONAL LAPLACIAN IN ℝN

  • Kim, Yun-Ho
    • Journal of the Korean Mathematical Society
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    • v.55 no.5
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    • pp.1269-1283
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    • 2018
  • We are concerned with elliptic equations in ${\mathbb{R}}^N$, driven by a non-local integro-differential operator, which involves the fractional Laplacian. The main aim of this paper is to prove the existence of small solutions for our problem with negative energy in the sense that the sequence of solutions converges to 0 in the $L^{\infty}$-norm by employing the regularity type result on the $L^{\infty}$-boundedness of solutions and the modified functional method.

Estimation of Decay Heat Generated from Long-Term Management of Spent Fuel (장기관리 핵연료로부터 방출되는 붕괴열량 추정)

  • Park, J.W.;J.H.Whang;Chun, K.S.;Park, H.S.
    • Nuclear Engineering and Technology
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    • v.21 no.1
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    • pp.48-55
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    • 1989
  • In this study, simple functional forms which could predict decay heat are referred to and modified in order to analyse more easily long-term behavior of decay heat generated from domestic PWR and CANDU spent fuel. To reduce the difference between the predicted data by functional forms and ORIGEN 2 results and to predict the decay heat under the important parameter(s), sensitivity analysis is performed. By introducing the identified hey parameter, turnup, into the functional forms, the decay heat of spent fuels within a limited rangs of cooling time(3~500 years) becomes predictable for various turnup rates. The predicted decay heat of spent fuels with representative turnup rates such as 33, 37 and 40 GWD/MTU by the functional forms is in so good agreement with ORIGEN 2 results within $\pm$10% difference over the cooling time from 1 to 10$^{5}$ years that the functional forms presented here may be used for engineering purposes such as the thermal design and assessment of the facilities associated with spent fuel management.

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Towards Designing Environmentally Stable Conjugated Polymers with very Small Band-Gaps

  • Hong, Sung Y.;Kim, Sung C.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.11
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    • pp.1649-1654
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    • 2003
  • We have investigated substituent effect on the stabilization energies, and nucleus-independent chemical shifts of pentafulvalenes and on the electronic structures of the corresponding polypentafulvalenes to design environmentally stable semiconductive or conductive polymers. Geometrical optimizations of the molecules were carried out at the density functional level of theory with B3LYP hybrid functional and 6-311+G(d) basis set. Stabilization energies were estimated using isodesmic and homodesmotic reactions. As a criterion of aromaticity nucleus-independent chemical shifts of the molecules were computed using GIAO approach. For the polymers the geometrical parameters were optimized through AM1 band calculations and the electronic structures were obtained through modified extended Huckel band calculations. It is found that strong electronwithdrawing substituents increase isodesmic and homodesmotic stabilization energies of pentafulvalene, though it does not increase the aromaticity. Nitro-substituted pentafulvalene is estimated to have stabilization energy as much as azulene. However, substitution either with electron-donating groups or with electronwithdrawing groups does not significantly affect the electronic structures of polypentafulvalene and poly (vinylenedioxypentafulvalene).