• Bulletin of the Korean Chemical Society
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• v.3 no.2
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• pp.44-49
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• 1982

Dynamic and equilibrium structures of a polymer chain immersed in solvent molecules have been investigated by a molecular dynamic method. The calculation employs the Lennard-Jones potential function to represent the interactions between two solvent molecules (SS) and between a constituent particle (monomer unit) of the polymer chain and a solvent molecule (CS) as well as between two non-nearest neighbor constituent particles of the polymer chain (CC), while the chemical bond for nearest neighbor constituent particles was chosen to follow a harmonic oscillator potential law. The correlation function for the SS, CS and CC pairs, the end-to-end distance square and the radius of gyration square were calculated by varying the chain length (= 5, 10, 15, 20). The computed end-to-end distance square and the radius of gyration square were found to be in a fairly good agreement with the corresponding results from the random-flight model. Unlike earlier works, the present simulation rsesult shows that the autocorrelation function of radius of gyration square decays slower than that of the end-to-end distance square.

• Polymer(Korea)
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• v.30 no.1
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• pp.56-63
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• 2006

We have synthesized two types of diamine monomers containing various chain length to prepare polyimides with layered structure. By using these diamines, homo-polyimides and co-polyimides having hydrophobic and hydrophilic segment of flexible side chain were synthesized. The segregated layered structures were formed by repulsive force with main chain as the side chains reach a critical length because the rigid main chains are packed into layered structure with the flexible side chains occupying the space between layers. As a result, the gallery space of each homo-polyimide was increased at spacing of $32.7\~48{\AA}\;or\;7\~10.5{\AA}$ as the increased hydrophobic or hydrophilic side chain length through X-ray diffraction. The gallery space of co-polyimides was also showed similar phenomenon by repulsive force of side chains with different properties. We have also confirmed that gallery space and molar volume were significantly depended on length of flexible side chain via molecular modeling.

• Bulletin of the Korean Chemical Society
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• v.4 no.2
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• pp.87-91
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• 1983

Molecular dynamic method has been applied to a single polymer chain immersed in a solvent. The interactions for the pairs, of two solvent molecules (SS), of a chain element and a solvent molecules (CS), and of two non-neighbor chain elements (CC) are given by the Lennard-Jones potential, and the interaction between two bonded chain elements is given by a harmonic potential. We changed the CS interaction parameter ${\varepsilon}_{CS}$ to 0.5, 1.0 and 2.0 times of the SS interaction ${\varepsilon}_{SS}$. We calculated the pair correlation functions for the SS, CS, and CC pairs, end-to-end distance and radius of gyration with the varying ${\varepsilon}_{CS}$ parameters. The results showed that a phase separation occurs between the polymer and solvent in the 0.5 system where ${\varepsilon}_{CS}$ = 0.5 {\varepsilon}_{SS}$. The autocorrelation functions for end-to-end distance and radius of gyration were also calculated.

• Journal of the Korean Society for Precision Engineering
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• v.3 no.1
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• pp.40-49
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• 1986

Crack, craze and void are common defects which may be found in the bulk of polymeric materials such as either themoplastics or thermosets. The healing phenomena, autohesion, of these defects are known to be a intrinsic material property of various polymeric materials. However, only a few experimental and theoretical investigations on crack, void and craze healing phenomena for various polymeric materials have been reported up to date [1, 2, 3]. This may be partly due to the complications of healing processes and lacking of appropriate theoretical developments. Recently, some investigators have been urged to study the healing phenomena of various polymenic materials since the significance of the use of polymer based alloys or composites has been raised in terms of specific strength and energy saving. In the earlier published reports [1, 2, 3, 4], the crack and void healing velocity, healing toughness and some other healing mechanical and physical properties were measured experimentally and compared with predicted values by utilizing a simple model such as the reptation model under some resonable assumptions. It seems, however, that the general acceptance of the proposed modeling analyses is yet open question. The crack healing processes seem to be complicate and highly dependent on the state of virgin material in terms of mechanical and physical properties. Furthermore, it is also strongly dependent on the histories of crack, craze and void development including fracture suface morphology, the shape of void and the degree of disentanglement of fibril in the craze. The rate of crack healing may be a function of environmental factors such as healing temperature, time and pressure which gives different contact configurations between two separated surfaces. It seems to be reasonable to assume that the crack healing processes may be divided in several distinguished steps like stress relaxation with molecular chain arrangement, surface contact (wetting), inter- diffusion process and com;oete healing (to obtain the original strength). In this context, it is likely that we no longer have to accept the limitation of cumulative damage theories and fatigue life if it is probable to remove the defects such as crack, craze and void and to restore the original strength of polymers or polymer based compowites by suitable choice of healing histories and methods. In this paper, we wish to present a very simple and intuitive theoretical model for the prediction of healed fracture toughness of cracked or defective polymeric components. The central idea of this investigation, thus, may be the modeling of behavior of chain molecules under healing conditions including the effects of chain scission on the healing processes. The validity of this proposed model will be studied by making comparisons between theoretically predicted values and experimentally determined results in near future and will be reported elsewhere.

• Advances in nano research
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• v.12 no.4
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• pp.375-386
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• 2022

Synthesis of acrylate-based dispersion resins involves many parameters including temperature, ingredients concentrations, and rate of adding ingredients. Proper controlling of these parameters results in a uniform nano-size chain of polymer on one side and elimination of hazardous residual monomer on the other side. In this study, we aim to screen the process parameters via Internet of Things (IoT) to ensure that, first, the nano-size polymeric chains are in an acceptable range to acquire high adhesion property and second, the remaining hazardous substance concentration is under the minimum value for safety of public and personnel health. In this regard, a set of experiments is conducted to observe the influences of the process parameters on the size and dispersity of polymer chain and residual monomer concentration. The obtained dataset is further used to train an Adaptive Neural network Fuzzy Inference System (ANFIS) to achieve a model that predicts these two output parameters based on the input parameters. Finally, the ANFIS will return values to the automation system for further decisions on parameter adjustment or halting the process to preserve the health of the personnel and final product consumers as well.

• BMB Reports
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• v.40 no.6
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• pp.1028-1038
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• 2007

Human plasma Hp is classified as 1-1, 2-1, and 2-2. They are inherited from two alleles Hp 1 and Hp 2, but there is only Hp 1 in almost all the animal species. Hp 2-2 molecule is extremely large and heterogeneous associated with the development of inflammatory-related diseases. In this study, we expressed entire bovine Hp in E. coli as a $\alpha\beta$ linear form. Interestingly, the antibodies prepared against this form could recognize the subunit of native Hp. In stead of a complicated column method, the antibody was able to isolate bovine Hp via immunoaffinity and gelfiltration columns. The isolated Hp is polymeric containing two major molecular forms (660 and 730 kDa). Their size and hemoglobin binding complex are significantly larger than that of human Hp 2-2. The amino-acid sequence deducted from the nucleotide sequence is similar to human Hp 2 containing a tandem repeat over the $\alpha$ chain. Thus, the Hp 2 allele is not unique in human. We also found that there is one additional -SH group (Cys-97) in bovine $\alpha$ chain with a total of 8 -SH groups, which may be responsible for the overall polymeric structure that is markedly different from human Hp 2-2. The significance of the finding and its relationship to structural evolution are also discussed.

• Korean Journal of Materials Research
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• v.13 no.3
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• pp.180-184
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• 2003

Ce-doped $Y_2$SiO$_{5}$ phosphor particles of spherical morphology, fine size, high crystallinity and high photoluminescence (PL) intensity were prepared by spray pyrolysis. When nitrate precursor solution is adopted, hollow particles were formed by uneven drying rate between surface and inside of droplet. Citric acid and ethylene glycol were introduced as polymeric precursor to control the morphology of particles. When polymeric solution is adopted, polymeric chain is formed by the esterification reaction between carboxyl and hydroxy groups of citric acid and ethylene glycol, and considered as controlling the drying characteristics of droplet. $Y_2$$SiO_{5}$ :Ce phosphor particles prepared from polymeric precursor solution were spherical, filled, fine size and not agglomerate before and after post heat treatment. The optimum doping concentration of cerium was 0.5 mol% of overall solution concentration. The optimum amount of TBOS of high PL intensity and pure crystallinity of X2-type $Y_2$$SiO _{5}$ was 105% of stoichiometric amount. The PL intensity of $Y_2$X$/_{5}$ :Ce phosphor particles prepared using the polymeric precursor solution was 164% of that of the nitrate precursor solution due to homogeneous composition and good morphology.y.

• Macromolecular Research
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• v.14 no.3
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• pp.272-286
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• 2006

Dendritic hyperbranched poly(methyl methacrylate)s (PMMA)s, whose branched architectures resemble the 'dendron' part(s) of dendrimer, were synthesized by an iterative methodology consisting of two reactions in each iteration process: (a) a coupling reaction of u-functionalized, living, anionic PMMA having two tert-butyldimethylsilyloxymethylphenyl(SMP) groups with benzyl bromide(BnBr)-chain-end-functionalized PMMA, and (b) a transformation reaction of the introduced SMP groups into BnBr functionalities. These two reactions, (a) and (b), were repeated three times to afford a series of dendron-like, hyperbranched (PMMA)s up to third generation. Three dendron-like, hyperbranched (PMMA)s different in branched architecture were also synthesized by the same iterative methodology using a low molecular weight, functionalized 1,1-diphenylalkyl anion prepared from sec-BuLi and 1,1-bis(3-tert-butyldime-thylsilyloxymethylphenyl)ethylene in the reaction step (b) in each iterative process. Furthermore, structurally similar, dendron-like, hyperbranched block copolymers could be successfully synthesized by the iterative methodology using $\alpha$-functionalized, living, anionic poly(2-(perfluorobutyl) ethyl methacrylate) (PRfMA) in addition to $\alpha$-functionalized, living PMMA. Accordingly, the resulting block copolymers were comprised of both PMMA and PRfMA segments with different sequential orders. After the block copolymers were cast into films and annealed, their surface structures were characterized by angle-dependent XPS and contact angle measurements. All three samples showed significant segregation and enrichment of PRfMA segments at the surfaces.

• 한국정보디스플레이학회:학술대회논문집
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• 2002.08a
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• pp.253-256
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• 2002

$Gd_2O_3$:Eu phosphor particles were prepared by largescale ultrasonic spray pyrolysis process. The morphological control of $Gd_2O_3$:Eu particles in spray pyrolysis was performed by adding polymeric precursors into spray solution containing nitrate salts. The effect of composition and amount of polymeric precursors on the morphology, crystallinity, and photoluminescence characteristics of $Gd_2O_3$:Eu particles was investigated. The influence of chain length of PEG on the morphology and photoluminescence intensity was investigated. $Gd_2O_3$:Eu particles prepared from aqueous solution containing no polymeric precursors had a hollow structure and rough surfaces after annealing process. The phosphor particles prepared from solution containing 0.1M CA and 0.lM PEG with high molecular weight as 1,500 had a spherical and filled morphology and the highest photoluminescence intensity, which was 48% higher than that of the $Y_2O_3$:Eu commercial product.

• Macromolecular Research
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• v.15 no.4
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• pp.337-342
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• 2007

The n-butyllithium-initiated ring-opening polymerization of ethylene oxide, in a mixture of benzene and dimethylsulfoxide (DMSO), between $25-45^{\circ}C$, with potassium tert-butoxide, is a useful and powerful method to control the molecular weight as well as achieve a quantitative chain-end functionalization yield of the resulting polymeric alkoxide via a one pot synthesis. The molecular weight of the product could be controlled by adjusting the ratio of grams of monomer to moles of initiators, such as n-butyllithium ([n-BuLi]) and potassium t-butoxide ([t-BuOK]). The yields for the macromonomer and ${\omega}-brominated$ poly(ethylene oxide) (PEO) were quantitative in relation to the chain-end functionalizations of the polymeric alkoxide formed. The resulting products were characterized by a combination of $^1H-NMR$ spectroscopic and size exclusion chromatographic analyses.