• 제목/요약/키워드: Molecular Property

검색결과 606건 처리시간 0.033초

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

  • Moon, Do-Won
    • Archives of Pharmacal Research
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    • 제8권4호
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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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PVA 중합도가 고상-액상 혼합 방식에 의한 YAG:Ce3+ 형광체 분말 합성에 미치는 영향 (Effect of PVA Polymerization on Synthesis of YAG:Ce3+ Phosphor Powders Prepared by a Solid-liquid Hybrid Route)

  • 김아름;이상진
    • 한국세라믹학회지
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    • 제51권5호
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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.

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

  • 장재언
    • Korean Chemical Engineering Research
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    • 제49권3호
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    • pp.361-366
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    • 2011
  • 몬테칼로 시뮬레이션 방법을 사용하여 유기화합물의 열역학적 물성을 예측하는 새로운 분자 시뮬레이션 소프트웨어를 개발하였다. 분자 구조, 분자간 포텐셜 에너지 함수와 엄밀한 통계역학적 원리로부터 많은 분자들을 포함한 계의 거동에 대한 확률 분포를 구하고 거시적인 계의 열역학적 물성을 계산한다. 본 연구에서 개발된 소프트웨어 cheMC는 윈도우즈 플랫폼에 기반하여 사용자 접근성이 좋고, 가시화 도구 및 차트 생성 기능 등 직관적인 인터페이스로 시뮬레이션 관리가 쉽다. 분자 시뮬레이션은 기존의 상태 방정식을 사용한 열역학 물성 연구를 보완하고, 향후 그 역할이 점점 더 커질 것으로 기대된다.

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

  • 김은도;손영호;조성진;황도원
    • 한국결정성장학회지
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    • 제17권2호
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    • pp.52-56
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    • 2007
  • 본 연구에서는 초고진공(UHV, ultra high vacuum) 분자선 에피성장(MBE, molecular beam epitaxy) 시스템을 제작하여, ZnSe/GaAs[001]을 증착하였고, 증착된 박막의 특성을 SEM(scanning electron microscopy), AFM(atomic force microscopy)으로 조사하여, 분자층 단위의 조밀하고 균일한 표면특성을 보이고 있음을 확인할 수 있었다 XRD(x-ray diffractometer)를 이용하여, GaAs[001]기판의 XRD peak 위치와 ZnSe 박막의 XRD peak 위치가 각자 일치함을 확인할 수 있었다. PL(photoluminescence)로는 대략 437nm에서 발광하는 것이 관측되었으며, 2인치 ZnSe 박막의 PL mapping을 측정하였다.

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

  • Chae, Kisung;Huang, Liping
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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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

  • 정성철;최정우;이원홍
    • 한국생물공학회:학술대회논문집
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    • 한국생물공학회 2003년도 생물공학의 동향(XII)
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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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키토산 표면처리가 종이의 항균성에 미치는 영향 (Effect of Chitosan Surface Treatment on the Antibacterial Properties of Paper)

  • 최찬호;전양;서영범
    • 펄프종이기술
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    • 제30권4호
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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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