• Journal of Adhesion and Interface
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• v.4 no.3
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• pp.33-40
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• 2003

In this work, diglycidyl ether of bisphenol A (DGEBA)/polyetherimide (PEI) blends were cured using 4,4-diaminodiphenyl methane (DDM). And the effects of addition of different PEI contents to neat DGEBA were investigated in the thermal properties and fracture toughness of the blends. The contents of contents of containing PEI were varied in 0, 2.5, 5, 7.5, and 10 phr. The cure activation energies ($E_a$) of the cured specimens were determined by Kissinger equation and the mechanical interfacial properties of the specimens were performed by critical stress intensity factor ($K_{IC}$). Also their surfaces were examined by using a scanning electron microscope (SEM) and the surface energetics of blends was determined by contact angles. As a result, $E_a$ and $K_{IC}$ showed maximum values in the 7.5 phr PEI. This result was interpreted in the increment of the network structure of DGEBA/PEI blends. Also, the surface energetics of the DGEBA/PEI blends showed a similar behavior with the results of $K_{IC}$. This was probably due to the improving of specific or polor component of the surface free energy of DGEBA/PEI blends, resulting in increasing the hydrogen bonding of the hydroxyl and imide groups of the blends.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.203-203
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• 2011

The importance of stepped single-crystal surfaces as model catalysts has been well recognized [1]. We re-investigated the adsorption properties of $H_2$ and CO, most important species in platinum-based catalysts, on nearly defect-free and highly stepped surfaces of one and the same Pt(111) crystal. While both being symmetric and single-peaked from the nearly defect-free surface, temperature-programmed desorption (TPD) spectra from the highly stepped surface saturated at 90 K with H and CO were triply- and doubly-peaked, respectively. Once pre-adsorbed, CO preempted step and then terrace sites, inhibiting the dissociative $H_2$ adsorption completely. Pre-adsorbed H inhibited the CO adsorption on terrace sites only, leaving defect sites intact for CO adsorption even at the saturation H precoverage. On defect-free Pt(111), while pre-adsorbed CO inhibited the dissociative $H_2$ adsorption completely, pre-adsorbed H could not inhibit the CO adsorption completely. These intriguing, but interesting results are discussed in terms of energetics/kinetics and the role of surface step sites in the dissociative adsorption of $H_2$ on Pt(111) [2].

• Journal of Korea Technical Association of The Pulp and Paper Industry
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• v.34 no.3
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• pp.1-8
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• 2002

The object of this study was to determine the surface energy of hydrophobically modified micro-crystalline cellulose (MCC) with AKD and evaluate the effect of surface energy of the solid particles dispersed in aqueous medium on flotation efficiency. Especially to eliminate the complication derives from the diverse parameters of solid particles including particle size, type, etc. MCC's modified with AKD have been used. The surface energy Parameters were calculated from advancing contact angles of apolar and polar liquids on MCC pellets using the Lifshitz-van der Waals acid-base (LW:AB) approach. Total surface energy of hydrophobic MCC ranged from 46.19 mN/m to 48.60 mN/m. The contribution of the acid-base components to the total surface energy ranged form 13% to 17% for hydrophobic MCC's. The effect of surface characteristics on the flotation efficiency was evaluated. It was shown that there exist critical values of surface energies to increase flotation efficiency. Total surface energy and polar component of solid particles should be lower than 47 mN/m and 7 mN/m, respectively, for effective removal in the flotation process.

• Elastomers and Composites
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• v.34 no.3
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• pp.222-228
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• 1999

In this work, the effect of chemical treatments on the carbon blacks as-received has been studied in the context of surface, adsorption, microstructure properties, and physical surface free energetics. As an experimental result, the basic chemical treatment leads to an increase in the either dispersive or specific component without significant change the pH and specific surface area. While, acidic chemical treatment do significantly change the surface and adsorption properties, and microstructures of the carbon blacks. In particular, the result given by basic chemical treatment shows an increase of the London dispersive component of the surface free energy which is a major parameter in evaluating the dispersion or specific surface area of the carbon blacks studied. This is probably a major role in evaluating the dispersion the carbon blacks, which are reinforced in elastomer matrix in a composite system.

• Carbon letters
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• v.9 no.2
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• pp.105-107
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• 2008

In this work, we employed an electroless nickel plating on glass fibers in order to enhance the electric conductivity of fibers. And the effects of metal content and plating time on the conductivity of fibers were investigated. From the results, island-like metal clusters were found on the fiber surfaces in initial plating state, and perfect metallic layers were observed after 10 min of plating time. The thickness of metallic layers on fiber surfaces was proportion to plating time, and the electric conductivity showed similar trends. The nickel cluster sizes on fibers decreased with increasing plating time, indicating that surface energetics of the fibers could become more homogeneous and make well-packed metallic layers, resulting in the high conductivity of Ni/glass fibers.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.36-36
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• 2010

Low-pressure fluorocarbon plasmas are widely used in microelectronics fabrication for a variety of surface modification purposes. In particular, fluorocarbon plasmas are used for the etching of dielectrics such as silicon dioxide and silicon nitride. Among the various fluorocarbons, this study focuses on C4F6 molecules (C4F6s) which are composed of hexafluorocyclobutene (c-C4F6), hexafluoro-1, 3-butadiene (1, 3-C4F6), and hexafluoro-2-butyne (2-C4F6). We have investigated the dissociation reactions of C4F6s, resulting in CF2, CF3, C2F3, and C3F3 fragments, by using the wB97X-D functional with various basis sets. In this presentation, the geometrical properties, energetics, and dissociation mechanisms of C4F6s will be suggested.

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3718-3722
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• 2010

Theoretical investigations are carried out on the title reaction by means of ab-initio and DFT methods. The optimized geometries, frequencies and minimum energy path are obtained at UB3LYP/6-311G(d,p) level. Single point energy calculations are performed at MP2 and MP4 levels of theory. Energetics are further refined by calculating the energy of the species with a modified Gaussian-2 method, G2M(CC,MP2). The rate constant of the reaction is calculated using Canonical Transition State Theory (CTST) utilizing the ab-initio data obtained during the present study and is found to be $5.47{\times}10^{-12}\;cm^3\;molecule^{-1}s^{-1}$ at 298 K and 1 atm.

• Advances in nano research
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• v.2 no.3
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• pp.157-172
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• 2014

The three-dimensional Nano-Electronic Modeling toolkit (NEMO 3-D) is an open source software package that allows the atomistic calculation of single-particle electronic states and optical response of various semiconductor structures including bulk materials, quantum dots, impurities, quantum wires, quantum wells and nanocrystals containing millions of atoms. This paper, first, describes a software module introduced in the NEMO 3-D toolkit for the calculation of electronic bandstructure and interband optical transitions in nanowires having wurtzite crystal symmetry. The energetics (Hamiltonian) of the quantum system under study is described via the tight-binding (TB) formalism (including $sp^3$, $sp^3s^*$ and $sp^3d^5s^*$ models as appropriate). Emphasis has been given in the treatment of surface atoms that, if left unpassivated, can lead to the creation of energy states within the bandgap of the sample. Furthermore, the developed software has been validated via the calculation of: a) modulation of the energy bandgap and the effective masses in [0001] oriented wurtzite nanowires as compared to the experimentally reported values in bulk structures, and b) the localization of wavefunctions and the optical anisotropy in GaN/AlN disk-in-wire nanowires.

• Polymer(Korea)
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• v.38 no.2
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• pp.220-224
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• 2014

Protein adsorption kinetics was studied with the amount of proteins adsorbed to contact lens hydrogels over time scales. Hydroxyethylmethacrylate (HEMA) and silicone hydrogels were dipped in protein solutions (albumin or IgG) and adsorption amounts were measured over time scales. The amount of protein adsorbed to both hydrogel types increased rapidly in 10 min, and remained consistently in 90 min. Decreasing interfacial energetics was taken slowly up to an hour in spite of rapid diffusion of protein molecules. This is due to the fact that water deprivation from three dimensional interphase initially formed by protein diffusion took over an hour. Interpretation of adsorption kinetics on contact lens hydrogels was discussed with understanding of relationship between surface energy and protein adsorption capacity.

• Clean Technology
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• v.28 no.3
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• pp.210-217
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• 2022

Boron(B) is a rare resource used for various purposes such as glass, semiconductor materials, gunpowder, rocket fuel, etc. However, Korea depends entirely on imports for boron. Considering the global boron reserves and its current production rate, boron will be depleted on earth in 50 years. Thus, a process including proper adsorbent materials recovering boron from seawater is demanded. This research proposed carbonized nanofibers prepared from electrospun PAN(polyacrylonitrile) mats as promising materials to adsorb boron in aqueous solution. First, the mechanism of boron adsorption on carbonized nanofibers was investigated by DFT(density functional method)-based molecular modeling and the calculated energetics demonstrated that the boron chemisorption on the nitrogen-doped graphene surface by a two-step dehydration is possible with viable activation energies. Then, the electrospun PAN mats were stabilized in air and then carbonized in an argon atmosphere before being immersed in the boric acid aqueous solution. Analytically, SEM(scanning electron microscopy) and Raman measurements were employed to confirm whether the electrospinning and carbonization of PAN mats proceeded successfully. Then, XPS(X-ray photoelectron spectroscopy) peak analysis showed whether the intended nitrogen-doped carbon nanofiber surface was formed and boron was properly adsorbed on nanofibers. Those results demonstrated that the carbonized nanofibers prepared from electrospun PAN mats could be feasible adsorbents for boron recovery in seawater.