• Bulletin of the Korean Chemical Society
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• v.21 no.5
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• pp.503-509
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• 2000

The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for $Rb^+$ to $K^+$ mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory(SPT). In comparing the relative free energies for interconversion of one ion pair, $Rb^+$ to $K^+$, in $H_2O$(TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study with the relative free energies of the computert simulations and the experimental, we found that the figure in this study is $-5.00\pm0.11$ kcal/mol and those of the computer simulations are $-5.40\pm1.9$, -5.5, and -5.4 kcal/mol. The experimental is -5.1 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the $Rb^+$ and $K^+$ ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients.

• 한국신재생에너지학회:학술대회논문집
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• 2009.11a
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• pp.394-394
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• 2009

Water solubility of conjugated polymers may offer many applications. Potential applications of water-soluble conjugated polymers include the polymer light-emitting diode and new materials for nano and micro hollow-capsules, and bio- or chemo-sensors. We synthesized neutral polyfluorenes containing bromo-alkyl groups by the palladium catalyzed Suzuki coupling reaction. Bromo-alkyl side groups in neutral polyfluorenes were quaternized by tri-methyl amine solution. The electrochemical and optical properties of water-soluble conjugated polymers are discussed. This novel synthesized water-soluble conjugated polymers were used as a interfacial dipole layer between active layer and metal cathode in polymer solar cell for enhancement of open-circuit voltage (Voc), which is one of the most critical factors in determining device characteristics. We also investigated the device performance of polymer solar cell with different metal cathode such as Al, Ag, Au and Cu. In polymer solar cell, novel cationic water-soluble conjugated polymers were inserted between active layer and high-work function cathode (Al, Ag, Au and Cu).

• Transactions of the Korean Society of Mechanical Engineers B
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• v.33 no.9
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• pp.682-687
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• 2009

In order to investigate the effects of three different electrostatic discharge energies on gas explosions, a high-speed PIV system has been applied. The present study paid attention to the flame initiation by the gas explosions and its propagation at the existence of an obstacle within a chamber. Three different ignition energies such as 0.56 mJ, 52.87 mJ and 112.5 mJ were used. It is found that the ignition kernel is bent by the electrostatic discharge during the flame initiation. Tangential velocities of unburnt mixture ahead of initially propagating flame fronts are increased with increasing ignition energy, which makes the flame propagation faster before it reaches the obstacle. Although the flame speed was found to be less sensitive to the ignition energies, the flame developments were different. The effects of the energies on explosion pressures were also discussed.

• Journal of Sensor Science and Technology
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• v.29 no.5
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• pp.312-322
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• 2020

As the use of mobile devices increase, there is public interest in the utilization of the human motion generated mechanical energy. The human motion generated mechanical energies vary depending on the body region, type of motion, etc., and an appropriate device has to be designed to utilize them effectively. In this work, a device based on the principles of triboelectric generation and inertia was assessed in order to utilize the multi-axial mechanical energies generated by human motions. To improve the output performance we confirm the changes in the output that vary with the structural design, the reasons for such changes, and variations in performance based on the parts of the human body. In addition, the level of electrical energy generated based on motion type was measured; a maximum voltage of 30 V and a current of 2 ㎂ were generated. Finally, the proposed device was utilized in LEDs used for lighting, thus demonstrating that multi-axial mechanical energies can be harvested effectively. Based on the results, we expect that the developed device can be utilized as a sensor to detect mechanical energies, to sense changes in motion, or as a generator for auxiliary power supply for mobile devices.

• Bulletin of the Korean Chemical Society
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• v.19 no.5
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• pp.527-530
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• 1998

This paper presents the electrochemistry and molecular orbital (MO) picture of a series of conformationally-restricted thioxantone derivatives. A series of $C_2-substituted$ thioxanthones were examined to probe the electronic influence of the substituent on the electrooxidation and electroreduction sites (i.e., on the electron densities at the 10-and 9-positions), respectively. In the presence of "electrophoric" groups such as C=O and S, characteristic electrochemical reduction and oxidation responses are observed. The electrochemical reaction was diffusion-controlled, because the $I_p/{\upsilon}^{1/2}$ ratio was constant for the anodic and cathodic wave of thioxantone derivatives. These substituent effects are presented in terms of correlations of oxidation (or reduction) potentials with the highest occupied molecular orbital (HOMO), or lowest unoccupied molecular orbital (LUMO) energies, respectively. There is good correlation between energies of the HOMO vs. $E_{pa}^{(+)}$ and energies of the LUMO vs. $E_{pc}^{(-)}$. Frontier Molecular Orbital (FMO) is changed by the functional group of thioxanthones. FMO energy level was offered us the information about the electron transfer direction, and the coefficient of FMO was offered the information about the electron transfer position. Sulfur atom has an important effect on oxidation potential, $E_{pa}^{(+)}$ and the carbonyl carbon has an important effect on reduction potential, $E_{pc}^{(-)}$. Therefore we were appreciated that the contribution of sulfur atom for the $E_{pa}^{(+)}$ and HOMO energies is larger than the contribution of carbonyl group for the $E_{pc}^{(-)}$ and LUMO energies.

• Journal of Energy Engineering
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• v.23 no.4
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• pp.31-40
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• 2014

The Korean government made the 2nd Energy Basic Plan to achieve 11% of new and renewable energies distribution rate until 2035 as a response to cope with international discussion about greenhouse gas emission reduction. Renewable energies include solar thermal, photovoltaic, bioenergy, wind power, small hydropower, geothermal energy, ocean energy, and waste energy. New energies contain fuel cells, coal gasification and liquefaction, and hydrogen. As public and private investment to enhance the distribution of new and renewable energies, it is necessary to clarify the economic effects of the new and renewable energies sector. To the end, this study attempts to apply an input-output analysis and analyze the economic effects of new and renewable energies sector using 2012 input-output table. Three topics are dealt with. First, production-inducing effect, value-added creation effect, and employment-inducing effect are quantified based on demand-driven model. Second, supply shortage effects are analyzed employing supply-driven model. Lastly, price pervasive effects are investigated applying Leontief price model. The results of this analysis are as follows. First, one won of production or investment in new and renewable energies sector induces 2.1776 won of production and 0.7080 won of value-added. Moreover, the employment-inducing effect of one billion won of production or investment in new and renewable energies sector is estimated to be 9.0337 persons. Second, production shortage cost from one won of supply failure in new and renewable energies sector is calculated to be 1.6314 won, which is not small. Third, the impact of the 10% increase in new and renewable energies rate on the general price level is computed to be 0.0123%, which is small. This information can be utilized in forecasting the economic effects of new and renewable energies sector.

• Nuclear Engineering and Technology
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• v.52 no.10
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• pp.2285-2289
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• 2020

Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa.

• Journal of the korean Society of Automotive Engineers
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• v.13 no.3
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• pp.43-48
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• 1991

Activation energies of alcohol fuels have been determined through droplet combustion and extinction experiments using droplet suspension technique in a low pressure environment to minimize the effect of buoyance. Results show that the activation energies determined are 41.4 kcal/mol for ethanol, 47.6 for 1-propanol, 48.4 for 1-butanol, 40.0 for 2-butanol, 48.0 for 1- pentanol, 50.8 for 1-hexanol and 51.7 for 1-decanol.

• Proceedings of the KIEE Conference
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• 2004.11b
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• pp.287-289
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• 2004

Korea adopted feed-in-tariff system for diffusing the generation using renewable energies in 2002. But, there are many debatable issues about Korea's feed-in-tariff system, such as application duration and tariff level by the renewable energies. This paper surveys problems and issues which has been discussed for two years.

• Proceedings of the KIEE Conference
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• 2004.11b
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• pp.290-292
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• 2004

Generally, there are two types of regulation strategies for encouraging renewable energies ; regulation by quantity and price. With examples of quantity regulation, there RPS (Renewable portfolio standard) system in United States America, Renewable obligation in England, and MRET system in Australia. Countries that chose the price regulation are Germany, Spain, France, Portugal. This Paper overviews the current trends of regulation system on policies for renewable energies in foreign countries on these days.