• Title/Summary/Keyword: Molecular Property

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Effect of Plasma Surface Treatment on Electrical and Mechanical Properties of Poly(ethylene terephthalate ) Film (플라즈마 표면처리가 Poly(ethylene terephthalate) 필름의 전기적 및 기계적 성질에 미치는 영향)

  • 임경범;이덕출
    • Journal of the Korean Society of Safety
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    • v.16 no.3
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    • pp.61-67
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    • 2001
  • In this study the electrical and mechanical characteristics of PET films ore analyzed after plasma surface treatment. After plasma treatment, the surface potential decay, surface potential and dielectric property were evaluated to analyze the electrical insulating property, and the tensile strength was measured as the mechanical characteristic. When plasma treatment was conducted for less than 10 minutes, it was found that the electrical insulating property was improved through evaporation of low molecular weight materials md cleaning of surface. However, for more than 10 minutes, the insulating property of plasma treated PET films was decreased due to excessive discharge energy. The tensile strength was hardly changed by Plasma treatment.

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Molecular Dynamics Simulation of First-Order Phase Transition (일차 상변화 과정의 분자 동력학적 모사)

  • Lee, Jae-Yeon;Yoon, Woong-Sup
    • 한국연소학회:학술대회논문집
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    • 2004.11a
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    • pp.161-166
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    • 2004
  • A study of argon droplet vaporization is conducted using molecular dynamics. Instead of using traditional method such as the Navier-Stokes equation. Molecular dynamics uses Lagrangian frame to describe molecular behavior in a system and uses only momentum and position data of all molecules in the system. So every property is not a hypothetical input but a statistical result calculated from the momentum and position data. This work performed a simulation of the first-order stability for phase transition of a three dementional submicron argon droplet within quiescent environment. Lennard-Jones 12-6 potential function is used as a intermolecular potential function. The molecular configuration is examined while an initially non-sperical droplet is changed into the spherical shape and droplet evaporates or condensates.

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Molecular Dynamics Simulation of Droplet Vaporization (분자 동력학을 이용한 액적 기화 시뮬레이션)

  • Nam, Gun-Woo;Yoon, Woong-Sup
    • Proceedings of the KSME Conference
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    • 2003.11a
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    • pp.121-126
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    • 2003
  • A study of argon droplet vaporization is conducted using molecular dynamics, instead of using traditional methods such as the Navier-Stokes equation. Molecular dynamics uses Lagrangian frame to describe molecular behavior in a system and uses only momentum and position data of all molecules in the system. So every property is not a hypothetical input but a statistical result calculated from the momentum and position data. This work performed a simulation of the complete vaporization of a three dimensional submicron argon droplet within quiescent environment. Lennard-Jones 12-6 potential function is used as a intermolecular potential function. The molecular configuration is examined while an initially non-spherical droplet is changed into the spherical shape and droplet evaporates. And the droplet radius versus time is calculated with temperature and pressure profile.

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Disjoining Pressures of Nanoscale Thin Films on Solid Substrate (고체 면에 흡착된 박막에서의 분리압력 특성에 관한 연구)

  • Han, Min-Sub
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.33 no.2
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    • pp.101-106
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    • 2009
  • The disjoining pressure is an important physical property in modeling the small-scale transport phenomena on thin film. It is a very useful definition in characterizing the non-continuum effects that are not negligible in heat and mass transport of the film thinner than submicro-scales. We present the calculated values of disjoining pressure of He, Kr and Xe thin films absorbed on graphite substrate using Molecular Dynamics Simulation (MD). The disjoining pressure is accurately calculated in the resolution of a molecular scale of the film thickness. The characteristics of the pressure are discussed regarding the molecular nature of the fluid system such as molecular diameter and intermolecular interaction parameters. The MD results are also compared with those based on the continuum approximation of the slab-like density profile and the results on other novel gases in the previous study. The discrepancies of the continuum model with MD results are shown in all three configurations and discussed in the view point of molecular features.

Three-Dimensional Analysis of the Collapse of a Fatty Acid at Various Compression Rates using In Situ Imaging Ellipsometry

  • Hwang, Soon Yong;Kim, Tae Jung;Byun, Jun Seok;Park, Han Gyeol;Choi, Junho;Kang, Yu Ri;Park, Jae Chan;Kim, Young Dong
    • Journal of the Optical Society of Korea
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    • v.18 no.4
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    • pp.350-358
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    • 2014
  • The collapse of Langmuir monolayers of arachidic acid (AA) on water at various rates of molecular area compression has been investigated in situ by imaging ellipsometry (IE). The thickness of the collapsed AA molecules, which are inherently inhomogeneous, was determined by IE with a spatial resolution of a few microns. For the analysis, we determined the dielectric function of AA monolayers from 380 to 1690 nm by conventional spectroscopic ellipsometry. Compression rates ranged from 0.23 to $0.94{\AA}^2/min$. A change of multilayer domains was observed in the in situ IE images. Lower compression rates resulted in more uniform collapsed films. Our experimental results correspond with previous theoretical simulations.

Property-based Design of Ion-Channel-Targeted Library

  • Ahn, Ji-Young;Nam, Ky-Youb;Chang, Byung-Ha;Yoon, Jeong-Hyeok;Cho, Seung-Joo;Koh, Hun-Yeong;No, Kyoung-Tai
    • Proceedings of the Korean Society for Bioinformatics Conference
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    • 2005.09a
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    • pp.134-138
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    • 2005
  • The design of ion channel targeted library is a valuable methodology that can aid in the selection and prioritization of potential ion channel-likeness for ion-channel-targeted bio-screening from large commercial available chemical pool. The differences of property profiling between the 93 ion-channel active compounds from MDDR and CMC database and the ACDSC compounds were classified by suitable descriptors calculated with preADME software. Through the PCA, clustering, and similarity analysis, the compounds capable of ion channel activity were defined in ACDSC compounds pool. The designed library showed a tendency to follow the property profile of ion-channel active compounds and can be implemented with great time and economical efficiencies of ligand-based drug design or virtual high throughput screening from an enormous small molecule space.

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Preparation of Acryl Binder with Silane Type Chain Transfer Agent (실란계 사슬 이동제를 사용한 아크릴 바인더의 제조)

  • Kim, Jin-Gon;Shin, Min-Jae;Shin, Jae-Sup
    • Polymer(Korea)
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    • v.36 no.3
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    • pp.351-356
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    • 2012
  • Acryl binder is a representative organic additive for the manufacture of the display electronic equipment. Acryl binder is usually synthesized by radical copolymerization. Glycidyl methacrylate (GMA), methyl methacrylate (MMA), and methacrylic acid (MAA) were used in this copolymerization of acryl binder. In this study the silane type mercaptane compound was used as a chain transfer agent (CTA) to enhance the adhesion property of the acrylic binder. The CTA used in this experiment was (3-mercaptopropyl) trimethoxysilane (MPTMS). Molecular weight of the copolymer, thickness of the coating, transmittance, and adhesion property were measured. The molecular weight was controlled and the adhesion property was improved by using this silane type chain transfer agent.

Development of diverse fluorides source for applicable F-18 radiofluorination method

  • Park, Su Hong;Kim, Dong Wook
    • Journal of Radiopharmaceuticals and Molecular Probes
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    • v.2 no.1
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    • pp.17-21
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    • 2016
  • Alkali metal fluoride sources (MFs) such as potassium fluoride (KF) have been widely used as a fluoride source in the nucleophilic displacement reaction. However, they have low solubility and nucleophilicity in most of the organic solvents. Bulky fluoride sources such as tetrabutylammonium fluoride (TBAF) were substituted for MFs to improve these properties. However, hygroscopic property of TBAF makes it less convenient for handling as well as its strong basic property can make the side-reaction occur. Recently, novel fluoride sources have been developed to solve these problems. In this paper, we would like to introduce coordinated fluoride sources as a new fluoride sources such as tetrabutylammonium tetra(t-butyl alcohol)-coordinated fluoride, crown ether metal complex fluoride, and various bulky alcohols coordinated fluoride complexes. In particular, bulky alcohol coordinated fluoride source could generated by the controlled hydrogen-bonded of fluoride with alcohols and these fluoride sources have better stability and reactivity with showing low hygroscopic property. The study of these fluoride sources will help to understand the characteristic of [$^{18}F$]fluoride for increasing the radiochemical yield in the [$^{18}F$]radiofluorination.

A Study on the Physical Properties of Polyurethane Resin Blended With Liquid Rubber (액상(液狀)고무를 Blend한 Polyurethane 수지(樹脂)의 특성(物性)에 관(關)한 연구(硏究))

  • Park, Seong-Ho;Choi, Sei-Young
    • Elastomers and Composites
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    • v.29 no.3
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    • pp.226-233
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    • 1994
  • The properties of the mixed prepolymer-urethane in the range of 10-40 phr were observed. LBR and LCR have same functional group but different in structure of molecular. The viscosity of mixture depending on content of rubber, adhesive strength, thermal property and compatibility with a diluted solvent are as follows: 1. The viscosity of the mixture was influenced by solubility of the diluent for urethane resin and liquid rubber. 2. Adhesive strength showed the highest value at 30phr rubber, decreased gradually at above 30phr rubber. And LBR revealed better physical property than that of LCR. 3. The most effective factors affecting adhesive strength are molecular structure of rubber, the type of solvent, and volatility. 4. Urethane resin containing LBR showed better compatibility for solvent and faster drying velocity. 5. LBR showed more favorable compatibility and dispersion state than those of LCR by analyzing the results of SEM.

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Physical property control for a batch polymerization reactor

  • Kim, In-Sun;Ahn, Sung-Mo;Rhee, Hyun-Ku
    • 제어로봇시스템학회:학술대회논문집
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    • 1996.10a
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    • pp.263-266
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    • 1996
  • A method to determine an optimal temperature trajectory that guarantees polymer products having controlled molecular weight distribution and desired values of molecular weight is presented. The coordinate transformation method and the optimal control theory are applied to a batch PMMA polymerization system to calculate the optimal temperature trajectory. Coordinate transformation method converts the original fixed-end-point, free-end-time problem to a free-end-point, fixed-end-time problem. The idea is that by making the reactor temperature track the optimal temperature trajectory one may be able to produce polymer products having the prespecified physical property in a minimum time. The on-line control experiments with the PID control algorithm have been conducted to establish the validity of the scheme proposed in this study. The experimental results show that prespecified polymer product could be obtained with tracking the calculated optimal temperature trajectory.

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