• Bulletin of the Korean Chemical Society
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• v.27 no.1
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• pp.39-43
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• 2006

The relaxed torsional potential of a liquid crystalline polymer containing an ester functional group in a mesogenic unit (hereafter 12-4 oligomer) has been calculated with the ab initio self-consistent-field using 6-31G$^*$ basis set. GIAO^{13}C NMR chemical shifts also have been calculated at the B3LYP/6-31G$^*$ level of theory for each conformational structure obtained from torsional potential calculation. The results show that the phenyl ring-ester linkages are coplanar with the dihedral angle of about 0$^{\circ}$ and the ring-ring linkages in the biphenyl groups are tilted with the dihedral angle of around 43-44$^{\circ}$ in the lowest energy conformer. The biphenyl ring has a comparatively lower energy barrier of internal rotation potential in the ring-ring than that of phenyl ring-ester. The ^{13}C chemical shifts of carbonyl carbons were found to move to upfield due to $\pi$ -conjugation with phenyl ring and slightly affected about 0.5 ppm by dihedral angle of the ring-ring linkage.

• Bulletin of the Korean Chemical Society
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• v.29 no.10
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• pp.1893-1897
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• 2008

We have performed DFT calculations to investigate the conformational characteristics and hydrogen bonds of the p-tert-butylcalix[5]arene (1) and p-tert-butylcalix[4]arene (2). The structures of different conformers of 1 were optimized by using B3LYP/6-31+G(d,p) method. The relative stability of the various conformers of 1 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of four conformers of 2 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The primary factor affecting the relative stabilities of the various conformers of the 1 and 2 are the number and strength of the intramolecular hydrogen bonds. The hydrogen-bond distances are discussed based on different calculation methods.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2006.05a
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• pp.373-376
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• 2006

The ring rolling design for a large-scale Ti-6Al-4V alloy ring was performed with a calculation method and FEM simulation. The ring rolling design includes geometry design and optimization of process variables. The calculation method was to determine geometry design such as initial billet and blank size, and final rolled ring shape. A commercial FEM code, SHAPE was used to simulate the effect of process variables in ring rolling on the distribution of the internal state variables such as strain, strain rate and temperature. In order to predict the forming defects during ring rolling, the process-map approach based on Ziegler's instability criterion was used with FEM simulation. Finally, an optimum process design to obtain sound Ti-6Al-4V rings without forming defects was suggested through combined approach of Ziegler's instability map and FEM simulation results.

• Transactions of Materials Processing
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• v.16 no.3 s.93
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• pp.172-177
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• 2007

The process design for large-scale ring rolling of Ti-6Al-4V alloy was performed by calculation method, processing map approach and FEM simulation. The ring rolling design includes geometry design and optimization of process variables. The calculation method was used to make geometry design such as initial billet and blank sizes, and final rolled ring shape. A commercial FEM code, SHAPE-RR was used to simulate the effect of process variables in ring rolling on the distribution of the internal state variables such as strain, strain rate and temperature. In order to predict the forming defects during ring rolling and the formation of over-heating above $\beta$-transus temperature due to deformation heating, the process-map approach based on Ziegler's instability criterion was used with FEM simulation. Finally, an optimum process design to obtain sound Ti-6Al-4V rings without forming defects was suggested through combined approach of Ziegler's instability map and FEM simulation results.

• The Journal of the Institute of Internet, Broadcasting and Communication
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• v.8 no.3
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• pp.101-113
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• 2008

The new wireless multimedia environment is coming because of the variety of an user requirement and a traffic increase which we can not accept in the IMT-2000 present systems. To offer the wireless multimedia service the world wireless communication company which included the ITU-R is developing the standard and technique of 4G systems. We analyzed the technique criteria of the 4G wireless communication system in this paper which is based on that of WiBro System. The mobile communication traffic is predicted Up/Down-link of non-symmetric in the future. And we proposed the PHY layer parameters of occupied frequency bandwidth of Up/Down-link with both 1:3 and 1:6. And we verified this through the simulation. So we proposed the technique criteria for 4G wireless communication in this paper.

• Journal of Radiation Protection and Research
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• v.37 no.3
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• pp.146-148
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• 2012

The use of GEANT4 simulation toolkit has increased in the radiation medical field for the design of treatment system and the calibration or validation of treatment plans. Moreover, it is used especially on calculating dose simulation using medical data for radiation therapy. However, using internal visualization tool of GEANT4 detector constructions on expressing dose result has deficiencies because it cannot display isodose line. No one has attempted to use this code to a real patient's data. Therefore, to complement this problem, using the result of gMocren that is a three-dimensional volume-visualizing tool, we tried to display a simulated dose distribution and isodose line on medical image. In addition, we have compared cross-validation on the result of gMocren and GEANT4 simulation with commercial radiation treatment planning system. We have extracted the analyzed data of dose distribution, using real patient's medical image data with a program based on Monte Carlo simulation and visualization tool for radiation isodose mapping.

• Environmental Engineering Research
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• v.24 no.3
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• pp.449-455
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• 2019

To investigate the effect of seaweed (SW) addition on anaerobic co-digestion of food waste (FW) and sewage sludge (SS), batch experiments were conducted at various substrate concentrations (2.5, 5.0, 7.5, and 10.0 g volatile solids (VS)/L) and mixing ratios ((FW or SS):SW = 100:0, 75:25, 50:50, 25:75, and 0:100 on a VS basis). The effect of SW addition on FW digestion was negligible at low substrate concentration, while it was substantial at high substrate concentrations by balancing the rate of acidogenesis and methanogenesis. At 10 g VS/L, $CH_4$ production yield was increased from 103 to $350mL\;CH_4/g$ VS by SW addition (FW:SW = 75:25). On the other hand, SW addition to SS enhanced the digestion performance at all substrate concentrations, by providing easily biodegradable organics, which promoted the hydrolysis of SS. $k_{hyd}$ (hydrolysis constant) value was increased from 0.19 to $0.28d^{-1}$ by SW addition. The calculation showed that the synergistic $CH_4$ production increment by co-digesting with SW accounted for up to 24% and 20% of total amount of $CH_4$ production in digesting FW and SS, respectively.

• Journal of the Korean Applied Science and Technology
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• v.18 no.4
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• pp.325-331
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• 2001

The critical micelle concentration (CMC) at which micelles start to form from a surfactant solution is usually measured in terms of conventional concentration units. However, the thermodynamic potentials are expressed in terms of mole fraction $X_{CMC}$ and $X_{CMC}$ cannot be directly measured experimentally. The Gibbs free energy, ${\Delta}G^{\ast}_{mic}$, in particular is related to $X_{CMC}$ through ${\Delta}G^{\ast}_{mic}$ = $RTlnX_{CMC}$. When it comes to CMC, the molar CMC, $C_{CMC}$, differs only by the proportionality $C^{-1}_{w}$ with $C_{w}$ being the molarity of water. Hence, $C_{CMC}$ is found to be a proper representation of CMC. However, in calculation of ${\Delta}G^{\ast}_{mic}$ and other thermodynamic potentials from the CMC, $X_{CMC}$ or $C_{CMC}/C_{w}$ should be used.

• Progress in Superconductivity and Cryogenics
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• v.21 no.4
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• pp.53-58
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• 2019

The critical current is one of the key parameters of high temperature superconducting (HTS) racetrack coils. Therefore, it is significant to calculate critical currents of HTS coils. This paper introduces a fast iterative algorithm for calculating the critical current of second generation (2G) HTS coils. This model does not need to solve long charging transients which greatly reduced the amount of calculation. To validate this model, the V-I curve of four 2G HTS double racetrack coils are measured. The effect of the silicon steel sheet on the critical current of the racetrack coil is also studied based on this algorithm.

• Textile Coloration and Finishing
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• v.19 no.4
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• pp.18-25
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• 2007

Kinetics and mechanism for alkaline hydrolysis of C. I. Disperse Green 9(G-9) of dinitrothiophene disperse dye were investigated. As soon as G-9 contacted with alkali, instant and continuous decreases of color strength of G-9 followed with increasing time. The hydrolysis rate of G-9 increased with increasing alkali, and it was found that alkali appeared first order dependence. The observed rate constants obtained from hydrolysis of various amount of dye were similar values, and calculation of initial rates showed that G-9 hydrolyzed by first order reaction for dye. Therefore it was confirmed that the overall reaction was second order, $SN_2$ of nucleophilic substitution reaction. Increasing temperature enhanced the hydrolysis of G-9. From the results of hydrolysis performed at various temperatures, it was obtained that activation energy(Ea) was 12.6 kcal/mole, enthalpy of reaction(${\triangle}H$) was 12.0 kcal/mole, and entropy of reaction(${\triangle}S$) was $29.8J/mol{\cdot}K$.