• 대한화학회지
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• 제46권6호
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• pp.545-549
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• 2002

고분자액체에 대한 이론들은 많은 경우 cell, hole, free volume 또는 lattice 등의 개념에 근거를 두고 있다. 여기에 van der Waals 포텐셜이나 Lennard-Jones 6-12포텐셜 또는 이를 개선한 형태의 포텐셜을 보통 사용되고 있다. 본 연구에서는 고분자 액체를 설명?求?성공적인 이론으로 알려져 있는 격자유체이론에서 불연속적 격자를 고전적으로 연속적으로 격자로까지 확장한 연속격자유체이론과 Flory의 상태방정식이론을 개선한 Dee-Walsch의 Cell 이론에 각각 Mie(p,6)포텐셜을 적용하여 반발포텐셜항의 지수 p에 따른 PVT 값을 계산하여 실험값과 비교를 하였다. 또한 격자유체이론, Flory의 상태방정식이론, 섭동법을 이용한 Cho-Sanchez 이론의 계산값과도 비교를 하였다. 계산결과를 통하여 고분자액체에 대한 포텐셜로 Van der Waals 포텐셜, Lennaed-Jones 6-12 포텐셜, Mie(p,6)포텐셜들을 비교하였다.

• Bulletin of the Korean Chemical Society
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• 제8권5호
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• pp.398-403
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• 1987

A general theory of polymer adsorption at a semi-permeable oil-water interface of the biphasic solution is presented. The configurational factor of the solution in the presence of the semi-open boundary at the interface is evaluated by the quasicrystalline lattice model. The present theory gives the feature of the bulk concentration equilibria between oil-water subsystems and the surface excesses of ${\Gamma}^{\alpha}$ and ${\Gamma}^\{beta}$ of the polymer segments as a function of the degree of polymerization $\gamma$, the Flory-Huggins parameter in $\beta$-phase $x_{\rho}^{{\beta}_{\rho}}$, the differential adsorption energy parameter in $\beta$-phase $x_{\sigma}^{{\beta}_{\rho}}$, the differential interaction energy parameter ${\Delta}x_{\rho}$ and the bulk concentration of the polymer in ${\beta}-phase ${\varphi}_2^{{\beta(*)}_2}$. From our numerical results, the characteristics of ${\Gamma}^{\alpha}$ are shown to be significantly different from those of ${\Gamma}^{\beta}$ in the case of high polymers, and this would be the most apparent feature of the adsorption behavior of the polymer at a semi-permeable oil-water interface, which is sensitively dependent on ${\Delta}x_{\rho}$ and r.

• 대한건축학회논문집:구조계
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• 제34권11호
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• pp.3-10
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• 2018

Cladding that finishes the exterior of a building could enhance the value of the building, and shape control is an important factor. With the recent development of 3D printing, cementitious claddings were printed by 3D printer in China, U.S.A and elsewhere. On the other hand, the structural safety of the exterior panel should be examined, as casualties occur when the exterior panel fails due to typhoon or impact. Cement-based cladding is reinforced by wire mesh to improve safety. Introducing 3D printing composite system with polymer and cement, makes it possible to produce claddings fast and accurate. Prior to the development of 3D printing cementitious cladding, the major parameters influencing the optimal shape were identified based on structural performance. The wind load, joint, and bond behavior between polymer and cement were considered. Polymer laminate shape, order, and thickness were variables, and finite element analysis was performed.

• 대한의용생체공학회:의공학회지
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• 제15권1호
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• pp.51-56
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• 1994

Protein adsorption on the polyurethane surface was modelled by a modified random sequential adsorption(RSA) process. In this model, polyurethane surface was modelled as a mixed domain of hydrophobic and hydrophilic parts which was implemented by a 2 dimensional $150{\times}150$ lattice in the computer. Protein adsorption was simulated using a small box which represents a particle of the protein, and polyurethane lattice by considering their hydrophobic interaction. In order to validate the model, we perfonned fibrinogen adsorption on polyurethane surface. Isotherms of the adsorbed protein were calculated and compared to the experimental data. The protein adsorption on the polyurethane surface could be well described using this computer model.

• Macromolecular Research
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• 제10권6호
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• pp.297-303
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• 2002

We have investigated the microstructural properties of a weakly charged polyelectrolyte modeled with both Hookean spring and Debye-Huckel potential, by employing a novel hybrid scheme of molecular dynamics (MD) and Monte Carlo (MC) simulations. Although the off-lattice pivot step facilitates the earlier computations stage, it gives rise to oscillations and hinders the stable equilibrium state. In order to overcome this problem, we adopt the MC off-lattice pivot step in early stage only, and then switch the computation to a pure MD step. The result shows that the computational speed-up compared to the previous method is entirely above 10 to 50, without loss of the accuracy. We examined the conformations of polyelectrolyte in solvents in terms of the end-to-end distance, radius of gyration, and structure factor with variations of the screening effects of solvent and the monomer charges. The emphasis can favorably be given on the elongation behavior of a polyelectrolyte chain, with observing the simultaneous snapshots.

• Bulletin of the Korean Chemical Society
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• 제18권8호
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• pp.841-850
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• 1997

A simple molecular theory of mixtures is formulated based on the nonrandom two-fluid lattice-hole theory of fluids. The model is applicable to mixtures over a density range from zero to liquid density. Pure fluids can be completely characterized with only two molecular parameters and an additional binary interaction energy is required for a binary mixture. The thermodynamic properties of ternary and higher order mixtures are completely defined in terms of the pure fluid parameters and the binary interaction energies. The Quantitative prediction of vapor-liquid, and solid-vapor equilibria of various mixtures are demonstrated. The model is useful, in particular, for mixtures whose molecules differ greatly in size. For real mixtures, satisfactory agreements are resulted from experiment. Also, the equation of state (EOS) is characterized well, even the liquid-liquid equilibria behaviors of organic mixtures and polymer solutions with a temperature-dependent binary interaction energy parameter.

• Elastomers and Composites
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• 제48권2호
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• pp.148-155
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• 2013

폴리머의 가교밀도는 팽윤 실험 데이터를 이용한 Flory-Rehner 식에 의하여 정량적으로 계산할 수 있는데, Flory-Rehner 식에서 상호계수 (${\chi}$) 항에 있는 lattice constant ${\beta}_1$ 값은 주의해서 선정되어야 한다. 이 ${\beta}_1$ 값은 경험에 의한 실험값으로 연구자에 따라 조금씩 다른 값이 선택되어 사용되고 있다. 일반적으로 Mooney-Rivlin 식에서 가교점 사이의 평균 분자량 $M_c$ 값은 Flory-Rehner 식에서의 $M_c$ 값과 동일한 의미를 가지며 Mooney-Rivlin 식으로부터 $M_c$ 값을 구하면 Flory-Rehner 식에서 ${\beta}_1$ 값을 구할 수 있다. 따라서 본 연구에서는 먼저 Flory-Rehner 식의 상호계수 (${\chi}$) 항의 ${\beta}_1$ (=0.34) 과 1,2,3-트리아졸 폴리머의 팽윤 실험 데이터를 적용하여 $M_c$ 값을 계산하고, 두 번째로 인장 실험 데이터를 이용한 Mooney-Rivlin 식을 이용하여 $M_c$ 값을 계산 후 비교하였다. 결과적으로 두 개의 $M_c$ 값이 거의 유사하여 Flory-Rehner 식의 상호계수 (${\chi}$) 를 위해 선정한 ${\beta}_1$ (=0.34) 값이 적절함을 증명하였다.

• 한국자기학회:학술대회 개요집
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• 한국자기학회 2007년도 The 1st International Symposium on Advanced Magnetic Materials
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• pp.220.1-220.1
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• 2007

• 한국섬유공학회:학술대회논문집
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• 한국섬유공학회 2003년도 가을 학술발표회 논문집
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• pp.52-54
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• 2003

Poly(vinyl alcohol) (PVA) obtained by the saponification of poly(vinyl ester) is a linear semicrystalline polymer; these polymers have been widely used as fibers for clothes and industries, binders, films, membranes, medicines for drug delivery system, and cancer cell-killing embolic materials. PVA fibers have high tensile and compressive strength, tensile modulus, and abrasion resistance because of the highest crystalline lattice modulus. (omitted)

• 한국산학기술학회:학술대회논문집
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• 한국산학기술학회 2010년도 추계학술발표논문집 1부
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• pp.470-473
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• 2010

Graphene, consisting of a single layer of carbon in a two-dimensional lattice, has been emerging as a fascinating material with many unique physical, chemical and mechanical properties. In this study, graphenes were prepared by a chemical method. To develop high performance polymer nanocomposites reinforced by graphenes, adequate dispersion of the fillers and strong interfacial bonding between the fillers and the polymer matrix are essential. The purpose of this study was to examine the influence of introducing amine groups on the surfaces of graphenes. FT-IR spectroscopy, SEM were used to confirm the functionalization. Epoxy nanocomposites comprising the graphenes were prepared and their characteristics were investigated by DSC, DMA and TMA. Fracture surfaces of the nanocomposites were investigated by SEM. The functionalized graphenes induced strong interfacial bonding than the pristine graphenes and resulted in considerable improvements in the performance of the nanocomposites.