• Title/Summary/Keyword: Molecular Property

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Organic Reaction Utilizing Cycilic Carbonate I. Polymerization of monochloroethylenecarbonate with phenols

  • Moon, Do-Won
    • Archives of Pharmacal Research
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    • v.8 no.4
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    • pp.191-195
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    • 1985
  • The polymerization of title compound (MCEC, I) with phenols led to give corresponding resole type polymer. Phenol and p-methoxyphenol polymer had a relative higher molecular weight and a property of elastomer, but p-chloro-and p-nitrophenol polymer had a lower ones. Also, phenol and p-meth-oxyphenol gave to crosslinking polymer by elongation of reaction period and rising of temperature.

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Effect of PVA Polymerization on Synthesis of YAG:Ce3+ Phosphor Powders Prepared by a Solid-liquid Hybrid Route (PVA 중합도가 고상-액상 혼합 방식에 의한 YAG:Ce3+ 형광체 분말 합성에 미치는 영향)

  • Kim, A-Reum;Lee, Sang-Jin
    • Journal of the Korean Ceramic Society
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    • v.51 no.5
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    • pp.424-429
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    • 2014
  • YAG:$Ce^{3+}$ phosphor powders were synthesized using $Al(OH)_3$ seeds by means of a PVA-polymer-solution route. Various types of PVA with different molecular weights (different polymerization) were used. All dried precursor gels were calcined at $500^{\circ}C$ and then heated at $1500^{\circ}C$ in a mix of nitrogen and hydrogen gases. The final powders were characterized via XRD, SEM, PSA, PL, and PKG analyses. The phosphor properties and morphologies of the synthesized powders were dependent on the PVA type. As the molecular weight of the PVA was increased, the particle size gradually decreased with agglomeration, and the luminous intensity of the phosphor increased. However, the phosphor powder prepared from the PVA exhibiting very high molecular weight, showed a 531 nm (blue) shift from the 541 nm (yellow) wavelength of the YAG:$Ce^{3+}$ phosphor. Finally, the synthesized YAG:$Ce^{3+}$ phosphor powder prepared from the PVA with 89,000 - 98,000 molecular weight showed phosphor properties similar to those of a commercial phosphor powder, but without a post-treatment process.

Development of Molecular Simulation Software for the Prediction of Thermodynamic Properties (열역학 물성 예측을 위한 분자 시뮬레이션 소프트웨어의 개발)

  • Chang, Jaee-On
    • Korean Chemical Engineering Research
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    • v.49 no.3
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    • pp.361-366
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    • 2011
  • By using Monte Carlo simulation method we developed a new molecular simulation software which can be used to predict the thermodynamic properties of organic compounds. Starting from molecular structure and intermolecular potential function, rigorous statistical mechanical principles give a probability distribution for the behavior of a system containing many molecules, which enables us to calculate macroscopic thermodynamic properties of the system. The software developed in this work, cheMC, is based on Windows platform providing with easy access. One can efficiently administrate simulations by using an intuitive interface equipped with visualization tool and chart generation. It is expected that molecular simulations supplement the equation of state approach and will play a more important role in the study of thermodynamic properties.

Property of molecular beam epitaxy-grown ZnSe/GaAs (분자선 에피성장법으로 성장된 ZnSe/GaAs의 특성)

  • Kim, Eun-Do;Son, Young-Ho;Cho, Seong-Jin;Hwang, Do-Weon
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.17 no.2
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    • pp.52-56
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    • 2007
  • We have installed an ultra high vacuum (UHV) molecular beam epitaxy (MBE) system and investigated into the characteristics of MBE-grown ZnSe/GaAs [001] using scanning electron microscopy (SEM), atomic force microscopy (AFM), we confirmed that layer's surface was dense and uniform of molecular layer. We used x-ray diffractometer (XRD) and confirmed two peaks correspond to GaAs [001] substrate and ZnSe epilayer, respectively. We observed photoluminescence (PL) peak approximately at 437 nm and measured PL mapping of 2 inch ZnSe epilayer.

An atomistic model for hierarchical nanostructured porous carbons in molecular dynamics simulations

  • Chae, Kisung;Huang, Liping
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.403.2-403.2
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    • 2016
  • Porous materials play a significant role in energy storage and conversion applications such as catalyst support for polymer electrolyte membrane fuel cell. In particular, hierarchical porous materials with both micropores (poresize, ${\delta}$ < 2 nm) and regularly arranged mesopores (2 nm < ${\delta}$ < 50 nm) are known to greatly enhance the efficiency of catalytic reactions by providing enormous surface area as well as fast mass transport channels for both reactants and products from/to active sites. Although it is generally agreed that the microscopic structure of the porous materials directly affects the performance of these catalytic reactions, neither detailed mechanisms nor fundamental understanding are available at hand. In this study, we propose an atomistic model of hierarchical nanostructured porous carbons (HNPCs) in molecular dynamics simulations. By performing a systematic study, we found that structural features of the HNPC can be independently altered by tuning specific synthesis parameters, while remaining other structures unchanged. In addition, we show some structure-property relations including mechanical and gas transport properties.

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Assembly and electrical property of GFP/Cytochrome b562 Fusion Protein ontothe Au Substrate

  • Jeong, Seong-Cheol;Choe, Jeong-U;Lee, Won-Hong;Nagamune, T.
    • 한국생물공학회:학술대회논문집
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    • 2003.04a
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    • pp.630-633
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    • 2003
  • Transfer of an electron from one site to another in a molecular or between molecules and/or electrodes is one of the most fundamental and ubiquitous processes in chemistry, biology and physics. In this study fusion proteins composed by green fluorescent protein(GFP) and cytochrome b562 were used in fabricating molecular array as an electron sensitizer and electron acceptor, Protein formation onto the substrate was performed by the self-assembly technique. The fusion protein film were analyzed using scanning probe microscope(SPM), Surface Plasmon Resornance(SPR) and hybrid STM/I-V. The results suggest that the proposed molecular photodiode can be used as a basic unit of the memory device.

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Effect of Chitosan Surface Treatment on the Antibacterial Properties of Paper (키토산 표면처리가 종이의 항균성에 미치는 영향)

  • Choi, Chan-Ho;Jeon, Yang;Seo, Yung-Bum
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.30 no.4
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    • pp.59-68
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    • 1998
  • This study was to investigate the effect of chitosan molecular weight, its charge density, and its surface coating treatment on the antibacterial properties of paper. For this study, E.coil was used for antibacterial experiment. Results obtained were as follows : 1. The antibacterial properties of chitosan was significant on the surface-treated sheet. 2. Antibacterial property surface treatment was appeared to be effective when film was formed on the paper surface. 3. The antibacterial properties of chitosan-treated paper was dependent on the amount and the molecular weight of chitosan used. The lower the molecular weight of the chitosan down to 30,000 the better the antibacterial properties in this experiment. 4. Determination of the degree of chitosan-deacetylation by colloidal titration method was consistent with the more complicated and conventional FT-IR method.

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