• Journal of the Korean Physical Society
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• v.73 no.12
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• pp.1808-1813
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• 2018

I develop a transfer matrix algorithm for computing the geometric quantities of a square lattice polymer with nearest-neighbor interactions. The radius of gyration, the end-to-end distance, and the monomer-to-end distance were computed as functions of the temperature. The computation time scales as ${\lesssim}1.8^N$ with a chain length N, in contrast to the explicit enumeration where the scaling is ${\sim}2.7^N$. Various techniques for reducing memory requirements are implemented.

• Bulletin of the Korean Chemical Society
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• v.6 no.3
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• pp.132-135
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• 1985

Four types of the phase diagrams indicating the partial miscibilities in polymer-polymer or polymer-solvent systems have been explained in terms of the extended Flory-Huggins lattice theory. In this article, the term $kT_{\chi}$ in the theory is expressed as a function of temperature. Using such $a_{\chi}$-parameter, the simplest forms of geometrical conditions are derived for each type of the four partial miscibilities in polymer systems. The calculated partial miscibilities are in good agreement with the experiment.

• 한국전산유체공학회:학술대회논문집
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• 2010.05a
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• pp.575-580
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• 2010

In this work, the electrophoretic motion of dsDNA molecule represented by a polymer through an artificial nano-pore in a membrane is simulated using the numerical method combining the lattice Boltzmann and Langevin molecular dynamic method. The polymer motion is represented by Langevin molecular dynamics technique while the fluid flow is taken into account by fluctuating lattice-Boltzmann method. The hydrodynamic interactions between the polymer and solvent in a confined space with a membrane having a hole are considered explicitly through the frictional and the random forces. The electric field intensity over the space is obtained from a finite difference method. Initially, the polymer is placed at one side of the space, and an electric field is applied to drive the polymer to the other side of the space through the nano-pore. In future, we plan to study the effect of the polymer size and the electric field on the electrophoretic velocity.

• Macromolecular Research
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• v.16 no.4
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• pp.320-328
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• 2008

We established a thermodynamic framework of group contribution method based on modified double lattice (MDL) model. The proposed model included the long-range interaction contribution caused by the Coulomb electrostatic forces, the middle-range interaction contribution from the indirect effects of the charge interactions and the short-range interaction from modified double lattice model. The group contribution method explained the combinatorial energy contribution responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, the polar force, and the specific energy contribution from hydrogen bonding. We showed the solvent activities of various polymer solution systems in comparison with theoretical predictions based on experimental data. The proposed model gave a very good agreement with the experimental data.

• 한국전산유체공학회:학술대회논문집
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• 2009.11a
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• pp.97-102
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• 2009

Translocation of biopolymers such as DNA and RNA through a nano-pore is an important process in biotechnology applications. The translocation process of a biopolymer through an artificial nano-pore in the presence of a fluid solvent is simulated. The polymer motion is simulated by Langevin molecular dynamics (MD) techniques while the solvent dynamics are taken into account by lattice-Boltzmann method (LBM). The hydrodynamic interactions are considered explicitly by coupling the polymer and solvent through the frictional and the random forces. From simulation results we found that the hydrodynamic interactions between polymer and solvent speed-up the translocation process. The translocation time ${\tao}_T$ scales with the chain length N as ${{\tau}_T}^{\propto}N^{\alpha}$. The value of scaling exponents($\alpha$) obtained from our simulations are $1.29{\pm}0.03$ and $1.41{\pm}0.03$, with and without hydrodynamic interactions, respectively. Our simulation results are in good agreement with the experimentally observed value of $\alpha$, which is equal to $1.27{\pm}0.03$, particularly when hydrodynamic interaction effects are taken into account.

• Bulletin of the Korean Chemical Society
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• v.10 no.1
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• pp.84-96
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• 1989

Applying the topological theory of rubber elasticity which was suggested by K. Iwata to the newly devised body-centered cubic lattice model, the authors calculated the values of four terms of the free energy to form polymer networks. Finding the projection matrix of the BCL model, and comparing this with the values of the simple cubic lattice (abbreviated to SCL hereafter) model of K. Iwata, the authors obtained the stress versus strain curves and found that the curves are in good agreement with the experimental results of poly(dimethyl siloxane) networks.

• Steel and Composite Structures
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• v.31 no.2
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• pp.133-148
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• 2019

This paper reports on the energy absorption characteristics of a lattice-web reinforced composite sandwich cylinder (LRCSC) which is composed of glass fiber reinforced polymer (GFRP) face sheets, GFRP lattice webs, polyurethane (PU) foam and ceramsite filler. Quasi-static compression experiments on the LRCSC manufactured by a vacuum assisted resin infusion process (VARIP) were performed to demonstrate the feasibility of the proposed cylinders. Compared with the cylinders without lattice webs, a maximum increase in the ultimate elastic load of the lattice-web reinforced cylinders of approximately 928% can be obtained. Moreover, due to the use of ceramsite filler, the energy absorption was increased by 662%. Several numerical simulations using ANSYS/LS-DYNA were conducted to parametrically investigate the effects of the number of longitudinal lattice webs, the number of transverse lattice webs, and the thickness of the transverse lattice web and GFRP face sheet. The effectiveness and feasibility of the numerical model were verified by a series of experimental results. The numerical results demonstrated that a larger number of thicker transverse lattice webs can significantly enhance the ultimate elastic load and initial stiffness. Moreover, the ultimate elastic load and initial stiffness were hardly affected by the number of longitudinal lattice webs.

• Macromolecular Research
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• v.17 no.11
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• pp.829-841
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• 2009

This study introduces a specified group-contribution method for predicting the phase equilibria in polymer solutions. The method is based on a modified double lattice model developed previously. The proposed model includes a combinatorial energy contribution that is responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, a polar force and specific energy contribution. Using the group-interaction parameters obtained from data reduction, the solvent activities for a large variety of mixtures of polymers and solvents over a wide range of temperatures can be predicted with good accuracy. This method is simple but provides improved predictions compared to those of the other group contribution methods.

• Journal of the Korean Chemical Society
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• v.49 no.2
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• pp.182-188
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• 2005

• Bulletin of the Korean Chemical Society
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• v.8 no.1
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• pp.19-26
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• 1987

A statistical thermodynamical treatment for polymer adsorption from solution is presented. The canonical partition function for the polymer solution in the presence of a surface or an impermeable interface is formulated on the basis of usual quasi-crystalline lattice model, Bragg-Williams approximation of random mixing, and Pak's simple treatment of liquid. The present theory gives the surface excess ${\Gamma}_{exc}$ and the surface coverage ${\phi}^s_2$ of the polymer as a function of the chain length x, the Flory-Huggins parameter x, the adsorption energy parameter $x_s$, and polymer concentration $v_2$. Present theory is also applicable to the calculation of interfacial tension of polymer solution against water. For the idealized flexible polymer, interfacial tensions according to our theory fit good to the experimental data to the agreeable degrees.