• Bulletin of the Korean Chemical Society
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• 제35권5호
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• pp.1559-1561
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• 2014

• 한국인쇄학회지
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• 제19권1호
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• pp.64-74
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• 2001

This study is to find the effect of the molecular weight distribution of components on the freeness and physical properties of paper by observing the change of properties according the modification of fibers by using production technology and process technology together to develop additives which can effectively control according to the purpose of paper-making process and by combining low molecular weight cellulase (below MW 20,000; CMC activity 400 unit) with different enzyme's molecular weight and activity and high molecular weight cellulase(MW 20,000∼80,000;CMC activity 90,000 unit) and then process them in Sw-BKP(Softwood Bleached Kraft Pulp) and Hw-BKP(Hardwood Bleached Kraft Pulp) and Cotton Linter Pulp and OCC(Old Corrugated Container) with different properties of pore of surface of fibers respectively, since it is judged that making the appropriate composition ratio of components is necessary in consideration of the properties of fibers and paper-making process.

• 대한화학회지
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• 제57권4호
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• pp.461-471
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• 2013

Optimized geometrical structure, atomic charges, molecular electrostatic potential, nonlinear optical (NLO) effects and thermodynamic properties of the title compound N-(2,5-methylphenyl)salicylaldimine (I) have been investigated by using ab initio quantum chemical computational studies. Calculated results showed that the enol form of (I) is more stable than keto form. The solvent effect was investigated for obtained molecular energies, hardneses and the atomic charge distributions of (I). Natural bond orbital and frontier molecular orbital analysis of the title compound were also performed. The total molecular dipole moment (${\mu}$), linear polarizability (${\alpha}$), and first-order hyperpolarizability (${\beta}$) were calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets to investigate the NLO properties of the compound (I). The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K.

• Korean Chemical Engineering Research
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• 제56권3호
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• pp.343-348
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• 2018

Each of the two polycarbonates (PC) of different molecular weights was blended with acrylonitrile-butadiene-styrene (ABS) under high-shear rate processing to afford PC/ABS. Sizes of ABS dispersed phases and mechanical properties of PC/ABS blends were investigated and high-shear rate processing of PC/ABS was carried out by changing screw speed and processing time. Prepared specimens were examined by scanning electron microscope (SEM) to observe morphology changes. Sizes of ABS dispersed phases in PC/ABS blends were observed to decrease gradually as screw speeds increased. Tensile strengths and elongations of specimens were investigated by universal testing method (UTM) to study the influence of molecular weight of PC exerting on PC/ABS blends. As a result, PC1/ABS blends (PC1: higher molecular weight PC) exhibited more strengthened properties than PC2/ABS (PC2: lower molecular weight PC). The tensile strength of PC1/ABS showed an increasing tendency when the screw speed increased, and the elongation did not show a significant decrease, but increased slightly with increasing shear time at a constant screw speed of 1000 rpm.

• Multiscale and Multiphysics Mechanics
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• 제1권4호
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• pp.327-340
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• 2016

Poly(${\epsilon}$-caprolactone) (PCL) diol, with good biodegradation and biocompatibility, is one of the widely used soft segments (SSs) in composing bio-polyester-urethanes (Bio-PUs), which show great potential in both biomedical and tissue engineering applications. Properties of Bio-PUs are tunable by combining SS monomers with different molecular weights, structures, modifications, and ratio of components. Although numbers of research have reported many Bio-PUs properties, few studies have been done at the molecular scale. In this study, we use molecular dynamic (MD) simulation to construct atomistic models for two commonly used PCL diol SSs with different molecular weights 1247.58 Da and 1932.42 Da. We compare the simulation results by using two widely used classical force fields for organic molecules: Consistent Valence Force Field (CVFF) and CHARMM General Force Field (CGenFF), and discuss the validity and accuracy. Melt density, volume, polymer conformations, transition temperature, and mechanical properties of PCL diols are calculated and compared with experiments. Our results show that both force fields provide accurate predictions on the properties of PCL diol system at the molecular scale and could help the design of future Bio-PUs.

• Elastomers and Composites
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• 제37권4호
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• pp.234-243
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• 2002

A general scheme of a rubber structure is proposed. Using the thermomechanical method(TMA), some changes in the molecular and topological structures for uncured and cured, and unfilled and filled rubbers during processing are shown. In our investigations as region it is understood a complex structure, which is expressed at the thermomechanical curve(TMC) as a zone differed from others in thermal expansion properties. This zone is between the noticed temperatures of relaxation transitions, usually on the level like those determined by DMTA at 1Hz. These regions, which shares, are not stable, and differ in molecular-weight distribution(MWD) of chain fragments between the junctions. Differences in dynamics of the formation of the molecular and topological structures of a vulcanizate are dependent on the rubber formulation, mixing technology and curing time. Some of characteristics of these regions correlate with mechanical properties of vulcanizates what is shown for NR rubbers containing ENR or CPE as a polymeric additive. It is well known that the state of order influences diffusivity of low-molecular substances into the polymer matrix. Because of this, the two topological amorphous regions should influence the distribution of the ingredients and resulting in rubber compounds' heterogeneity, and related properties of cured rubber. Investigation of this problem is expected to be, in the future, one of the essential factors in determining further improvement of polymeric materials properties by compounding with additives and in reprocessing of rubber scrap.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2004년도 Asia Display / IMID 04
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• pp.1200-1203
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• 2004

We investigated the molecular aligning capability of a polymer layer containing ceramic nanoparticles which can be used as a gate insulator of organic thin-film transistors (OTFTs). Because of the enhanced dielectric properties arising from the nanoparticles and molecular aligning properties of the polymer, the composite layer provides excellent mobility characteristics of the OTFTs.

• Food Science and Biotechnology
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• 제16권5호
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• pp.663-674
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• 2007

Starches from different botanical sources differ in the ratio of amylose to amylopectin contents, molecular structures of amylose and amylopectin, granule morphology, and minor-component contents. These structural features result in different gelatinization, pasting, retrogradation properties, and enzyme digestibility of starch granules. In this review, compositions and molecular structures of starches and their effects on the physicochemical properties are summarized and discussed.

• Journal of Microbiology and Biotechnology
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• 제4권4호
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• pp.364-366
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• 1994

Molecular properties of streptococcal nuclease purified from Streptococcus sp. were examined. The purified enzyme was stable in the range of pH 7 to 10 and easily inactivated above $60^{\circ}C$. Atomic spectroscopy analysis indicated that the enzyme contains Ca, Mg, Zn. Circular dichroism study showed 25% $\alpha$ -helix, 15% $\beta$-sheet and 30% $\beta$-tums.

• Carbon letters
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• 제11권4호
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• pp.316-324
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• 2010

The effects of geometrical parameters on mechanical properties of graphite-vinylester nanocomposites and their constituents (matrix, reinforcement and interface) are studied using molecular dynamics (MD) simulations. Young's modulii of 1.3 TPa and 1.16 TPa are obtained for graphene layer and for graphite layers respectively. Interfacial shear strength resulting from the molecular dynamic (MD) simulations for graphene-vinylester is found to be 256 MPa compared to 126 MPa for graphitevinylester. MD simulations prove that exfoliation improves mechanical properties of graphite nanoplatelet vinylester nanocomposites. Also, the effects of bromination on the mechanical properties of vinylester and interfacial strength of the graphene.brominated vinylester nanocomposites are investigated. MD simulation revealed that, although there is minimal effect of bromination on mechanical properties of pure vinylester, bromination tends to enhance interfacial shear strength between graphite-brominated vinylester/graphene-brominated vinylester in a considerable magnitude.