• EDISON SW 활용 경진대회 논문집
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• 제4회(2015년)
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• pp.48-52
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• 2015

Control of polymer conformations in heterogeneous confinement plays an important role in natural and engineering processes. We present a simulation study on the conformational structure and dynamics of a single, flexible polymer in a dense array of nanoposts with different sizes and separations, especially, when the volume of the interstitial space formed between four nanoposts is less than the size of the polymer chain. When a polymer is placed in the array of nanoposts, the size of polymer increases compared with that in the absence of nanoposts due to the confinement effect. It is shown that when a polymer is confined in the array of nanoposts the chain is elongated in the direction parallel to the nanoposts. As the interstitial volume between four nanoposts decreases either by increasing the nanopost diameter or by decreasing the separation between nanoposts, the chain elongation becomes more pronounced. On the contrary, the polymer size varies in a non-monotonic fashion, with an initial elongation followed by a chain contraction, as the interstitial volume is reduced both by increasing the nanopost diameter and decreasing the separation at the same time while keeping constant the width of the passageway between two nanoposts. The simulation analysis shows that the non-monotonic dependence of polymer size is determined by interplay between the chain alignment along the nanoposts in each interstitial volume and the chain spreading through passageways over several interstitial volume.

• 폴리머
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• 제30권2호
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• pp.108-111
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• 2006

본 연구에서는 아크릴계 고분자의 소수성 차이에 따른 막 모폴로지 변화를 조사하였다. 막은poly(methyl methacrylate)(PMMA), poly(ethyl methacrylate)(PEMA), poly(butyl methacrylate)(PBMA), poly(isobutyl, methacrylate)(PIBMA) 및 이들의 블렌드를 사용하여 습식 상 역전 방법으로 제조하였다. 상대적으로 소수성이 적은 PMMA와 PEMA는channel-like 형태의 막 구조를, 소수성이 큰 PBMA와 PIBMA는 finger-like 형태의 막 구조를 보여주었다. 이러한 막 구조의 변화는 polymer-rich상의 고상화 과정에서 속도론적 차이가 있었기 때문이었다. 이성분 블렌드 막의 구조는 주 성분 고분자에 의해 결정되었다.

• 한국고분자학회지:고분자과학과기술
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• 제8권1호
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• pp.12-23
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• 1997

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.975-979
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• 2012

Structure and Dynamics of dilute two-dimensional (2D) ring polymer solutions are investigated by using discontinuous molecular dynamics simulations. A ring polymer and solvent molecules are modeled as a tangent-hard disc chain and hard discs, respectively. Some of solvent molecules are confined inside the 2D ring polymer unlike in 2D linear polymer solutions or three-dimensional polymer solutions. The structure and the dynamics of the 2D ring polymers change significantly with the number ($N_{in}$) of such solvent molecules inside the 2D ring polymers. The mean-squared radius of gyration ($R^2$) increases with $N_{in}$ and scales as $R{\sim}N^{\nu}$ with the scaling exponent $\nu$ that depends on $N_{in}$. When $N_{in}$ is large enough, ${\nu}{\approx}1$, which is consistent with experiments. Meanwhile, for a small $N_{in}{\approx}0.66$ and the 2D ring polymers show unexpected structure. The diffusion coefficient (D) and the rotational relaxation time ($\tau_{rot}$) are also sensitive to $N_{in}$: D decreases and $\tau$ increases sharply with $N_{in}$. D of 2D ring polymers shows a strong size-dependency, i.e., D ~ ln(L), where L is the simulation cell dimension. But the rotational diffusion and its relaxation time ($\tau_{rot}$) are not-size dependent. More interestingly, the scaling behavior of $\tau_{rot}$ also changes with $N_{in}$; for a large $N_{in}$ $\tau_{rot}{\sim}N^{2.46}$ but for a small $N_{in}$ $\tau_{rot}{\sim}N^{1.43}$.

• 멤브레인
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• 제26권4호
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• pp.291-300
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• 2016

분리막(Separation membrane)을 이용하여 기체 또는 액체상태로 존재하는 분자들을 선택적으로 분리하는 기술은 화학, 생물, 제약, 석유화학 등의 산업에서 매우 다양하게 응용되고 있으며 산업적으로 매우 큰 비중을 차지하고 있다. Anodic aluminum oxide (AAO) 막은 nanochannel의 직경, nanochannel 간의 거리 및 원통형 nanochannel의 길이 등을 정밀하게 조절할 수 있어 AAO 막을 이용하여 혼합분자를 효과적으로 분리하려는 다양한 연구가 진행되고 있다. 본 연구에서는 양 말단이 열려있어 through-hole 구조로 다양한 직경의 nanochannel을 가지는 AAO 막을 제작하였으며, 이것을 이용하여 용매에 녹아있는 고분자 사슬의 수력학적 부피에 따른 선택적 투과를 관찰하였다. Nanochannel을 투과한 고분자 사슬의 회전반지름과 nanochannel의 직경 사이에 정량적인 관계가 있음을 확인하였다. 또한 AAO 막의 nanochannel을 흐르는 고분자 용액의 유동률(flow rate)이 Hagen-Poiseuille 관계식으로 정확하게 설명될 수 있음을 확인하여 AAO 내에 존재하는 원통형태의 nanochannel 내에서 흐르는 용액의 나노흐름(nanoflow)에 대한 이론적 해석이 가능함을 증명하였다.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2003년도 International Meeting on Information Display
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• pp.611-614
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• 2003

We have investigated electric field effect on the formation of phase separated composite organic film structure which is utilized by anisotropic phase separation from LC and prepolymer mixtures. Application of bias field resulted in a significant change in liquid crystal alignment between glass substrate and polymer layer. The liquid crystal molecules segregated into the inter-electrodes and formed twisted structure which is the result of imprinting of LC alignment by the bias field on polymer layers during polymerization process.

• Macromolecular Research
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• 제11권5호
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• pp.393-397
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• 2003

By applying a configurational-bias Gibbs ensemble Monte Carlo algorithm, priority simulation results regarding the conformation of non-dilute polyelectrolytes in solvents are obtained. Solutions of freely-jointed chains are considered, and a new method termed strandwise configurational-bias sampling is developed so as to effectively overcome a difficulty on the transfer of polymer chains. The structure factors of polyelectrolytes in the bulk as well as in the confined space are estimated with variations of the polymer charge density.

• EDISON SW 활용 경진대회 논문집
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• 제5회(2016년)
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• pp.147-154
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• 2016

Co-nonsolvency is a puzzling phenomenon that a polymer swells in a good solvent individually, but it collapses in a mixture of good solvents. This structural transition with changing solvent environment has been drawing attention due to practical application for stimuli-responsive polymer. The aim of this work is to describe the physical origin of the co-nonsolvency. In this work, we present Monte Carlo simulations for polymer solutions by using simple and general model. We simulate linear and ring polymers to compare their co-nonsolvency behaviors. Calculating Flory exponents and bridging fractions gives a good description for polymer structures. While the polymer structure shows non-monotonous behavior with increasing the cosolvent fraction, the chemical potential decreases monotonously. This indicates that coil-to-globule transition of polymers is purely controlled by free energy and can be regarded as a thermodynamics transition. We also present that ring polymers have higher looping probability than linear polymers, thus the bridging fraction remains higher at high cosolvent fraction. Our study provides a new perspective to understand polymer structure when the polymer "dissolves well" in any solvent.

• 한국안광학회지
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• 제1권1호
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• pp.65-72
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• 1996

플라스틱 안경렌즈의 소재에 관한 일반적인 특성을, 광학적 특성과 polymer의 구조관련시켜 설명함으로써 그 본질적인 부분에 대한 해설을 하였다. PMMA의 경우 ${\delta}$ 전자에 기반을 둔 1중결합에 의해 폴리머의 골격이 유지되고 이들에 의한 빛의 흡수현상은 매우 적은 것이었다, 폴리머의 굴절율은 주로 분자굴절, 분극율에 의해 지배되었고, Cl, Br, I 같은 할로겐기나 벤젠고리를 함유한 경우 굴절율이 높았다. 굴절율의 온도의존성은 무기그라스보다 환경의존성은 컸고, 폴리머내에서의 산란은 결정영역의 불균일한 분포와 관계가 있었다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 1995년도 추계학술대회 논문집
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• pp.320-323
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• 1995

In this paper, in order to improve withstand voltage properties of epoxy resin, IPN(interpenetrating polymer network) method was introduced and the influence was investigated. The sing1e network structure specimen(E series), simultaneous interpenetrating polymer network specimen(EMF series) and pseudo interpenetrating polymer network(EMP series) specimen were manufactured. In order to understand the internal structure properties, scanning electron microscopy method was utilized, rind glass transition temperature was measured. Also, AC voltage dielectric strength, tensile strength and impact strength were measured to investigate influence upon electrical and mechanical properties. As a result, it was confirmed that simultaneous interpenetrating polymer network specimen was the most execellent.