• Title/Summary/Keyword: Dispersion interaction

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Hydrogen Production from Methane Reforming Reactions over Ni/MgO Catalyst

  • Wen Sheng Dong;No, Hyeon Seok;Zhong Wen Liu;Jeon, Gi Won;Park, Sang Eon
    • Bulletin of the Korean Chemical Society
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    • v.22 no.12
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    • pp.1323-1327
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    • 2001
  • The catalyst Ni/MgO (Ni : 15 wt%) has been applied to methane reforming reactions, such as steam reforming of methane (SRM), partial oxidation of methane (POM), and oxy-steam reforming of methane (OSRM). It showed high activity and good stability in all the reforming reactions. Especially, it exhibited stable catalytic performance even in stoichiometric SRM (H2O/CH4 = 1). From TPR and H2 pulse chemisorption results, a strong interaction between NiO and MgO results in a high dispersion of Ni crystallite. Pulse reaction results revealed that both CH4 and O2 are activated on the surface of metallic Ni over the catalyst, and then surface carbon species react with adsorbed oxygen to produce CO.

The Spectroscopic Studies on the Aggregation Behavior of Cyanine Dyes

  • 민형식;박정희;유종완;김동호
    • Bulletin of the Korean Chemical Society
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    • v.19 no.6
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    • pp.650-654
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    • 1998
  • Aggregations of 1,1'-diethyl-2,2'-carbocyanine iodide (DCI) and 1,1'-diethyl-2,2'-dicarbocyanine iodide (DDT) in aqueous solution have been investigated by the steady-state absorption spectroscopy. The equilibrium constants for dimerization of DCI and DDT are found to be $(9.8{\pm}0.5){\times}10^4 \;and\; (1.6{\pm}0.5){\times}10^5\; M^{-1}$, respectively, at 293 K. The enthalpy changes for the dimerization of DCI and DDT are -6.7±0.7 and -7.7±0.8 kcal/mol, respectively. The results show that the dispersion force plays an important role in the aggregation of DCI and DDT in aqueous solution. The absorption bandwidth of DCI/ethanol system has been measured as a function of temperature, providing the evidence for no strong interaction between DCI and solvent molecules. The participation of hydrophobic force in driving the aggregation is suggested. For the first time, DCI in aqueous solution is found to form a new aggregate which has both J- and H- bands.

Group Contribution Method for Group Contribution Method for Estimation of Vapor Liquid Equilibria in Polymer Solutions

  • Oh, Suk-Yung;Bae, Young-Chan
    • Macromolecular Research
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    • v.17 no.11
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    • pp.829-841
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    • 2009
  • This study introduces a specified group-contribution method for predicting the phase equilibria in polymer solutions. The method is based on a modified double lattice model developed previously. The proposed model includes a combinatorial energy contribution that is responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, a polar force and specific energy contribution. Using the group-interaction parameters obtained from data reduction, the solvent activities for a large variety of mixtures of polymers and solvents over a wide range of temperatures can be predicted with good accuracy. This method is simple but provides improved predictions compared to those of the other group contribution methods.

Controlled Release of Epidermal Growth Factor (EGF) from EGF-loaded Polymeric Nanoparticles Composed of Polystyrene as Core and Poly(methacrylic acid) as Corona in vitro

  • Park, In-Kyu;Seo, Seog-Jin;Akashi, Mitsuru;Akaike, Toshihiro;Cho, Chong-Su
    • Archives of Pharmacal Research
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    • v.26 no.8
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    • pp.649-652
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    • 2003
  • Polymeric nanoparticles composed of polystyrene (PS) as core and poly(methacrylic acid) (PMA) as corona were prepared by the dispersion copolymerization. The potential of the nanoparticles as carriers for recombinant human epidermal growth factor (EGF) was investigated. The nanoparticles showed monodispersity and good water-dispersibility. The loading content of EGF to the nanoparticles was very high due to electrostatic interaction between EGF and nanoparticles. EGF was released as a pseudo-zero order pattern after initial burst effect. The nanoparticles were sufficient for A431 cells proliferation.

Understanding DFT Calculations of Weak Interactions: Density-Corrected Density Functional Theory

  • Park, Hansol;Kim, Yeil;Sim, Eunji
    • Journal of the Korean Chemical Society
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    • v.63 no.1
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    • pp.24-28
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    • 2019
  • In this work, we discuss where the failure of Kohn-Sham Density Functional Theory (DFT) occurs in weak interactions. We have adopted density-corrected density functional calculations and dispersion correction separately to find out whether the failure is due to density-driven error or functional error. The results of Benzene Ar complex, one of the most common examples of van der Waals interactions, show that DFT calculations of van der Waals interaction suffer from functional error, rather than density-driven error. In addition, errors in DFT calculations of the S22 dataset, which contains small to relatively large (30 atoms) complexes with non-covalent interactions, are governed by functional errors.

Improved Dissolution of Solid Dispersed Atorvastatin Using Spray-Dryer (분무건조기를 이용한 아토르바스타틴 고체분산체의 용출율 개선)

  • Lee, Jun-Hee;Kim, Dae-Sung;Kim, Won;Park, Jong-Hak;Ahn, Sik-Il;Kim, Yun-Tae;Rhee, John-M.;Khang, Gil-Son
    • Journal of Pharmaceutical Investigation
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    • v.38 no.4
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    • pp.249-254
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    • 2008
  • Solid dispersions of poorly water-soluble drug, atorvastatin, were prepared with Eudragit L100 to improve the solubility by spray dryer. To investigate the correlation between physicochemical properties and dissolution rate of solid dispersions, the samples were characterized by scanning electron microscopy (SEM), differential scanning calorimeter (DSC) and fourier transform infrared spectroscopy (FT-IR). SEM and DSC were found that atorvastatin is amorphous in the Eudragit L100 solid dispersion. FT-IR was used to analyze the salt formation by interaction between atorvastatin and Eudragit L100. The dissolution rate of solid dispersed atorvastatin was markedly increased compared to drug powder in stimulated intestinal juice (pH 6.8). Thus, the solid dispersed atorvastatin using the spray drying method with Eudragit L100 may be effective for the bioavailability.

Effect of Dispersed MoO3 Amount on Catalytic Activity of NiO-ZrO2 Modified with MoO3 for Acid Catalysis

  • Sohn, Jong-Rack;Lee, Sung-Gyu;Shin, Dong-Cheol
    • Bulletin of the Korean Chemical Society
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    • v.27 no.10
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    • pp.1623-1632
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    • 2006
  • NiO supported on zirconia modified with $MoO_3$ for acid catalysis was prepared by drying powdered $Ni(OH)_2-Zr(OH)_4$ with ammonium heptamolybdate aqueous solution, followed by calcining in air at high temperature. The characterization of prepared catalysts was performed using FTIR, Raman, XRD, and DSC. $MoO_3$ equal to or less than 15 wt% was dispersed on the surface of catalyst as two-dimensional polymolybdate or monomolybdate, while for $MoO_3$ above 15 wt%, crystalline orthorhombic phase of $MoO_3$ was formed, showing that the critical dispersion capacity of $MoO_3$ on the surface of catalyst is 0.18 g/g NiO-$ZrO_2$ on the basis of XRD analysis. Acidity and catalytic activities for acid catalysis increased with the amount of dispersed $MoO_3$. The high acid strength and acidity was responsible for the Mo=O bond nature of the complex formed by the interaction between $MoO_3$ and $ZrO_2$. The catalytic activity for acid catalysis was correlated with the acidity of the catalysts measured by the ammonia chemisorption method.

Preparation and Characterization of High Density Polyethylene (HDPE)/Exfoliated Graphite (EFG) Nanocomposite Films (High Density Polyethylene (HDPE) / Exfoliated Graphite (EFG) 나노복합필름 제조와 특성에 관한 연구)

  • Kwon, Hyok;Kim, Dowan;Seo, Jongchul
    • KOREAN JOURNAL OF PACKAGING SCIENCE & TECHNOLOGY
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    • v.19 no.2
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    • pp.95-102
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    • 2013
  • Exfoliated graphite (EFG) with high aspect ratio was incorporated with high density polyethylene (HDPE) for use as high barrier packaging material such as water-sensitivity electric product and pharmaceutical packaging. Also HDPE/EFG nanocomposite films were prepared by adding the compatibilizer for effective dispersion and compatibility. Their chemical properties, crystal structure properties, thermal properties and water barrier properties of as-prepared HDPE/EFG nanocomposite films were investigated as a function of EFG contents. It showed that there is a weak interfacial interaction between HDPE and EFG, however, the water vapor permeations were decreased from 127 to 78 (70 ${\mu}m{\cdot}g/m^2$, $day{\cdot}atm$) by addition of EFG. Especially, the physical properties of HDPE/EFG nanocomposite films were effectively increased up to 0.5 wt%, however, there were no significant improvement of properties in nanocomposite films at the additional EFG loading. To maximize their performance of the nanocomposite films, further research is required to enhance the dispersion of EFG and compatibility of EFG in HDPE matrix.

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Theoretical Prediction of Dynamic Elastic Moduli and Attenuation Properties of Fiber-Reinforced Composite Materials (섬유강화 복합재료의 동탄성계수 및 감쇠특성의 이론적 예측)

  • 김진연;이정권
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.16 no.12
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    • pp.2328-2339
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    • 1992
  • The propagation of coherent time-harmonic elastic L-and SV-waves is studied in a medium with random distribution of cylindrical inclusions. The purpose of the research is to characterize the dynamic elastic moduli and the attenuation properties of fiber-reinforced composite materials. The cylindes representing the fibers are assumed to be distributed in parallel with each other and the direction of incident waves are normal to the cylinder axes. A multiple scattering formula using the single scattering coefficients in conjunction with the Lax's quasicrystalline approximation is derived from which the dispersion relation for such medium is obtained. In order to formulate the multiple scattering interaction between cylinders, the pair correlation functions are generated by the Monte Carlo simulation technique. From the numerically evaluated complex wavenumbers, the propagation speed of the average wave, the coherent attenuation and the effective elastic moduli are presented as functions of frequency and fiber volume fraction.

Physical Properties of Gelucire-based Solid Dispersions Containing Lacidipine and Release Profiles (Lacidipine 함유 Gelucire 고체분산체의 물성 및 방출)

  • Park, Jun-Bom;Choi, Jong-Seo;Lee, Seung-Chul;Lee, Ho;Lee, Beom-Jin;Kang, Chin-Yang
    • Journal of Pharmaceutical Investigation
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    • v.40 no.1
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    • pp.9-14
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    • 2010
  • Lacidipine used for the treatment of hypertension has low water solubility and is classified as BCS Class II category. Gelucire-based solid dispersions (SD) containing lacidipine were prepared by solvent evaporation method to enhance drug dissolution. The powdered forms of SD showed irregularly spherical shape. Thermal behaviors of SD from differential scanning calorimetry indicated that distinct endothermic peak of lacidipine ($184^{\circ}C$) was shifted to lower region ($150.1^{\circ}C$). Drug was present in a crystalline form. NMR spectra also showed some molecular interaction between drug and Gelucire. There was no significant difference in DSC and NMR behaviors between Gelucire 44/14 and Gelucire 50/13. The initial dissolution rate of SD-loaded tablet linearly increased both in water and in water containing 1% tween 20, and much higher than the commercial tablet, $Vaxar^{(R)}$. When the amount of SD was increased, the release rate was greater. The Gelucire 50/13 showed higher dissolution than the Gelucire 44/14. The produced solid dispersion with various kinds of excipients and making tablets, it was found that solid dispersions can increase the solubility in artificial gastric juice and finally increases dissolution rate.