• Elastomers and Composites
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• v.37 no.4
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• pp.258-264
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• 2002

In this work, the influence of thermal treatment on surface properties of silicas and mechanical interfacial properties of silicas/polyurethane composites was investigated. The surface properties of thermally treated silicas were studied in the context of Fourier Transform-IR (FT-IR), solid-state 29Si NMR spectroscopy, and contact angle. And the mechanical interfacial properties of the silica/polyurethane composites were evaluated by composite tearing energy (GIIIC). As a result, it was found that the thermally treated silica surfaces became hydrophobic in nature, due to the condensation of surface hydroxyls and the formation of siloxane bonds, resulting in increasing the London dispersive component of surface free energy. From which, the increase of the London dispersive component of the silicas led to an improvement of the dispersion of silicas in a polyurethane matrix, finally resulting in improving the tearing energy (GIIIC) of the silicas/polyurethane composites.

• Composites Research
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• v.16 no.1
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• pp.42-49
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• 2003

Brittle matrix composites often have interfacial debonding between the fiber and matrix which may lead to strength and stiffness degradation. The effect of interfacial debonding and fiber volume fraction on the mechanical properties of composite material were studied by using finite element method. Firstly, the modelling of fiber and matrix constituting the composite material was simplified under some assumptions. Traction and displacement continuity conditions were imposed along the boundary of adjacent representative volume elements. In order to obtain the effective material properties of composite material, stiffness constants were inverted. Numerical values of longitudinal moduli in case of perfect bonding were compared with theoretical values obtained by rule of mixtures and yielded consistency. Material properties of composite with large debonding an81e were found to decrease even though the fiber volume fraction increased.

• Journal of Adhesion and Interface
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• v.17 no.3
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• pp.89-95
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• 2016

An environmentally friendly water-based pressure sensitive adhesive (PSA) was designed in an attempt to replace the solvent-based adhesive for dry lamination used in flexible food packaging films. Instead of using a low molecular weight surfactant, which may have variable material properties, a high molecular weight dispersant was used for emulsification. A polymeric nano-dispersant (PND) was synthesized using solution polymerization, and it was used as a micelle seed in the surfactant, resulting in the synthesis of a core/shell grafted acrylic adhesive. The shell and core exhibited different $T_g$ values, so that the initial adhesion strength and holding power were complemented by the film's flexibility, which is required to provide good adhesion of thin films. Results showed that the PSA designed in this study using the PND instead of traditional low molecular weight surfactant had adhesive properties applicable to the flexible packaging with appropriate tack.

• Applied Chemistry for Engineering
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• v.9 no.5
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• pp.763-767
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• 1998

Cholesterol-containing surfactant was synthesized, and it was sonicated with monomer [tetradeca(ethylene glycol) diacrylate] in water to from a vesicle solution. This vesicle solution was dried to construct a membrane which had a molecular multilayer structure. The monomer which stay in this membrane was polymerized with photoinitiation, and then surfactant was extracted by organic solvent. The physical properties of the two dimensional polymer network were measured, and these physical properties are tensile strength, elongation, and swelling.

• Polymer Science and Technology
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• v.17 no.6
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• pp.792-802
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• 2006

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2011.04a
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• pp.127-130
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• 2011

본 연구에서는 나노입자와 고분자 기지 간에 공유결합을 형성시킨 나노복합재의 계면특성과 탄성계수에서 나타나는 크기효과를 고려하기 위해 분자동역학과 미시역학모델을 순차적으로 연계하는 멀티스케일 해석모델을 제안하였다. 나노입자의 체적분율이 동일한 5개의 나노복합재 셀에 대해, 입자의 표면 원자와 고분자 기지 간에 탄소로 구성된 공유결합을 생성시킨 후 분자동 역학 전산모사를 통해 탄성계수를 예측하였고, 공유결합이 존재하지 않는 나노복합재의 탄성계수와 이를 비교하여 계면의 물성증가와 탄성계수에서 나타나는 입자의 크기효과를 규명하였다. 향상된 계면의 특성을 연속체 해석 모델에서 고려하기 위해 분자동역학 해석결과와 미시역학 모델을 연계하는 순차적 브리징 기법을 적용하였고, 이로부터 계산된 계면의 물성의 타당성을 유한요소 해석을 통해 검증하였다. 그 결과 입자와 기지 간 공유결합을 통해 나노복합재가 보다 넓은 범위에 걸친 크기효과를 나타냈으며, 제안된 브리징 모델을 통해서 물리적으로 타당한 계면의 탄성계수 값을 계산할 수 있었다.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2011.04a
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• pp.119-122
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• 2011

분자동역학 전산모사를 통하여 에폭시에 다양한 반경의 구형 실리콘 카바이드를 삽입한 나노복합재를 모델링하고, 이들의 기계적 물성과 열적 물성 해석을 다양한 온도조건 하에서 수행하였다. 전산모사 결과 동일한 체적분율 하에서 나노복합재는 입자의 크기가 작아질수록 탄성계수와 전단계수가 상승하는 동시에 선팽창계수는 감소하는 입자의 크기효과를 보였다. 또한 온도 상승에 따른 기계적 물성의 하락이 잘 관찰되었다. 본 연구에서는 이러한 분자동역학 해석 결과를 바탕으로 다양한 온도조건 하에서의 입자의 크기효과를 고려한 멀티스케일 3상 모델을 제시하였다. 유리상 조건 범위에서 온도 변화에 따른 나노복합재 계면의 열응력텐서와 열변형률텐서의 정보를 통해 복합재 내에서 계면이 차지하는 부피비를 온도에 대한 함수로 고려하고, 이를 멀티스케일 모델에 반영함으로써 다양한 온도조건에 대한 나노복합재 열탄성 물성의 예측해를 제시하였다. 본 연구에서 제시한 모델에서 계산된 3상 복합재의 물성은 분자동역학 전산모사의 결과에서 나타나는 나노입자의 크기효과를 잘 반영하였다.

• Composites Research
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• v.31 no.5
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• pp.282-287
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• 2018

In this paper, we explore interfacial properties of the mineralized CNTs when they are employed as reinforcing fillers in a polymer nanocomposite using molecular dynamics (MD) simulations. Recently, several studies on mineralizing carbon nanotubes (CNTs) with an aid of nitrogen doping to CNTs have been reported. However, there is a lack of studies on the reinforcing effects of the mineralized CNTs when it is employed as a filler of nanocomposites. Silica ($SiO_2$) is used as a mineral material and poly (methyl metacrylate) (PMMA) is used as a polymer matrix. Pull-out simulations are conducted to obtain the interfacial energy and the interfacial shear stress. It was found that the silica mineralized CNTs have higher interfacial interaction with the polymer matrix. In the future, by examining various thermomechanical properties of the mineralized-CNT-filler/polymer nanocomposites, we will search for potential applications of the novel reinforcing filler.

• Polymer(Korea)
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• v.26 no.4
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• pp.445-451
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• 2002

In this work, the adsorption characteristics and mechanical interfacial properties of treated silicas by silane coupling agents, such as, ${\gamma}$-methacryloxy propyl trimethoxy silane (MPS), ${\gamma}$-glycidoxy propyl trimethoxy silane (GPS), and ${\gamma}$-mercapto propyl trimethoxy silane (MCPS), were investigated. The equilibrium spreading pressure ($pi_e$), surface free energy ($gamma_s$ s/), and specific surface area ($S_{BET}$) were studied by the BET method with $N_2$/77 K adsorption. The developments of nonpolar functional groups of the silica surfaces treated by silane coupling agents led to the increase in the $S_{BET}$, $pi_e$, and $gamma_s$, resulting in the improved tearing energy ($G_{mc}$)of the silica/rubber composites. The composites treated by MPS showed the superior mechanical interfacial properties in these systems. These results explained by changing of crystalline size, dispersion, agglomerate, and surface functional group of silica/rubber composites.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.29 no.6
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• pp.577-582
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• 2016

In this study, a multiscale method for solving a thermoelasticity problem for interphase in the polymeric nanocomposites is developed. Molecular dynamics simulation and finite element analysis were numerically combined to describe the geometrical boundaries and the local mechanical response of the interfacial region where the polymer networks were highly interacted with the nanoparticle surface. Also, the micrmechanical thermoelasticity equations were applied to the obtained equivalent continuum unit to compute the growth of interphase thickness according to the size of nanoparticles, as well as the thermal phase transition behavior at a wide range of temperatures. Accordingly, the equivalent continuum model obtained from the multiscale analysis provides a meaningful description of the thermoelastic behavior of interphase as well as its nanoparticle size effect on thermoelasticity at both below and above the glass transition temperature.