• Clean Technology
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• v.22 no.1
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• pp.35-44
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• 2016

In this study, a computational chemistry methodology called as molecular modeling was been applied to explain several experiment results mechanistically. The reaction chosen for this study was to remove carbon dioxide, known as a primary greenhouse gas, by an epoxide via the carbon dioxide fixation to produce carbonates. This reaction inherently needs the use of catalysts because it has a significantly high activation barrier (55~59 kcal/mol). Among various types of catalysts, we studied in zeolitic imidazolate framework 90 (ZIF-90)/ionic liquid immobilized ZIF-90 (IL-ZIF-90), polystyrene-supported quaternized ammonium salt, KI/KI-glycine, and dimethylethanolamine (DMEA). First, probable reaction pathways were proposed based on calculated energetics by computational chemistry. The energetics was then used for the thermodynamic interpretation on the activity of catalysts. In the case of ZIF-90/IL-ZIF-90 and KI/KI-glycine, IL-ZIF-90 and KI-glycine showed better yields compared to their counterparts. The calculation proposed interesting results that it is not from the lowering of activation energy but from the unstable intermediates of ZIF-90 and KI-glycine. For DMEA, the calculated activation energy was ~42 kcal/mol, much lower than that of the non-catalytic reaction. A possible reaction pathway was located to confirm the interaction between −NH group from ammonium and oxygen from epoxide for polystyrene-supported quaternized ammonium salt.

• Applied Chemistry for Engineering
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• v.5 no.3
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• pp.406-412
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• 1994

The ion-exchange properties of $Ca^{2+}$ and $Mg^{2+}$ ions have been studied in ${\delta}-Na_2Si_2O_5$ synthesized from water glass. Results show that optimum temperature for synthesis of ${\delta}-Na_2Si_2O_5$ was $725^{\circ}C$. Ion-exchange isotherms for $Ca^{2+}$ and $Mg^{2+}$ exchange for $Na^+$ in the synthetic ${\delta}-Na_2Si_2O_5$ show that the ion-exchange capacity of magnesium is better than that of calcium, and the ion-exchange of magnesium is less sensitive for temperature than that of calcium. When initial pH of solution is increased between 2 and 6, the ion-exchange capacities of magnesium and calcium decrease a little. However, they are almost constant above pH 6 because of alkali buffer effect of ${\delta}-Na_2Si_2O_5$. In the thermodynamic studies, it was found that Gibbs free energies of reaction of calcium ion-exchange are larger than those of magnesium ion-exchange with inverse order of selectivity. The standard enthalpy and entropy of reaction of calcium ion-exchange are larger than those of magnesium ion-exchange.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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• 2004.09a
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• pp.121-121
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• 2004

The groundwater in the Pocheon area occurs from both a fractured bedrock aquifer in igneous and metamorphic rocks and an alluvial aquifer with a thickness of <50 m, and forms a major source of domestic and agricultural water supply. In this study, we performed a hydrogeochemical study in order to identify the control of geochemical processes on groundwater quality. For this study, groundwater level and physicochemical parameters (EC, Eh, pH, alkalinity) were monitored once a month from a total of 150 groundwater wells between June 2003 to August 2004. A total of 153 water samples (13 surface water, 66 alluvial groundwater, 74 bedrock groundwater) were also collected and analyzed in February 2004. Groundwater chemistry in the study area is very complex, depending on a number of major factors such as geology, degree of chemical weathering, and quality of recharge water. Hydrochemical reactions such as the leaching of surficial and near-solace soil salts, dissolution of calcite, cation exchange, and weathering of silicate minerals are proposed to explain the chemistry of natural groundwater. Alluvial groundwaters locally have very high TDS concentrations, which are characterized by their chloride(nitrate)-sulfate-bicabonate facies and low Na/Cl ratio. Their grondwater levels are highly fluctuated according to rainfall event. We suggest that high nitrate content and salinity in such alluvial groundwaters originates from the local recharge of sewage effluents and/or fertilizers. Likewise, high concentrations of nitrate were also locally observed in some bedrock groundwaters, suggesting their effect of anthropogenic contamination. This is possibly due to the bypass flow taking place through macropores. Tile degree of the weathering of silicate minerals seems to be a major control of the distribution of major cations (sodium, calcium, magnesium, potassium) in bedrock groundwaters, which show a general increase with increasing depth of wells. Thermodynamic interpretation of groundwater chemistry shows that the groundwater in the study area is in chemical equilibrium with kaolinite and Na-montmorillonite, which indicates that weathering of plagioclase to those minerals is a major control of hydrochemistry of bedrock groundwater. The interpretation of the molar ratios among major ions, as well as the mass balance calculation, also indicates the role of both dissolution/precipitation of calcite and Ca-Na cationic exchange as bedrock groundwaters evolves progressively.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.29 no.6
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• pp.283-293
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• 2019

As applications in extreme environments such as aerospace, high-energy plasma and radio-active circumstances increases, the demand for materials that require higher melting points, higher mechanical strength and improved thermal conductivity continues to increase. Accordingly, in order to improve the oxidation/abrasion resistance of the carbon-carbon composite, which is a typical heat-resistant material, a method of using ultra high temperature ceramics was reviewed. The advantages and disadvantages of CVD coating, pack cementation and thermal plasma spraying, the simplest methods for synthesizing ultra-high temperature ceramics, were compared. As a method for applying the CVD coating method to C/C composites with complex shapes, the possibility of using thermodynamic calculation and CFD simulation was proposed. In addition, as a result of comparing the oxidation resistance of the TaC/SiC bi-layer coating and TaC/SiC multilayer coating produced by this method, the more excellent oxidation resistance of the multilayer coating on C/C was confirmed.

• Journal of the Korean Applied Science and Technology
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• v.31 no.2
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• pp.244-254
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• 2014

The interactions of 4-chlorobenzoic acid with the micellar system of various cationic, nonionic, and mixed surfactant systems were studied by the UV/Vis spectrophotometric method. The solubilization constants ($K_s$) of 4-chlorobenzoic acid into those micellar systems have been measured at various temperatures and various thermodynamic parameters for the solubilization of 4-chlorobenzoic acid have been calculated and analyzed from those changes. The results show that the values of ${\Delta}G^o_s$ are all negative within the measured temperature range and that the values of ${\Delta}H^o_s$ and ${\Delta}S^o_s$ are all positive. The effects of alkyl-group's length of surfactant molecules on the solubilization of 4-chlorobenzoic acid have been also measured. The values of $K_s$ were dependent simultaneously on the alkyl-group's length and the kind of head-group in surfactant molecules. From these changes we can postulate the solubilization site and the degree of interaction of 4-chlorobenzoic acid with the micellar systems.

• Journal of Navigation and Port Research
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• v.33 no.10
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• pp.659-664
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• 2009

LNG carriers have, up to 2006, mainly been driven by steam turbines. The Boil-Off Gas from the LNG cargo tanks has so far been used as fuel. This is a costly solution that requires special skills during construction and operation. Alternative propulsion systems offer far better fuel economical efficiency than steam turbines. Instead of previous practice using Boil-Off Gas as a fuel, the Re-liquefaction system establishes a solution to liquefy the Boil-Off Gas and return the LNG to the cargo tanks. This Re-liquefaction of Boil-Off Gases on LNG carriers results in increased cargo deliveries and allows owners and operators to choose the most optimum propulsion system. In this study, thermodynamic cycle analysis has been performed on two type of LNG Re-liquefaction system which was designed and adopted for the Q-Flex(216,000$m^3$) and Q-Max(266,000$m^3$) LNG carrier under construction at Korea ship yards and variable key factor was simulated to compare efficiency, power and nitrogen consumption of each Re-liquefaction system.

• Journal of Advanced Marine Engineering and Technology
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• v.40 no.6
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• pp.484-492
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• 2016

The turbine is an important component and has a significant impact on the thermodynamic efficiency of the organic Rankine cycle. A precise preliminary design is essential to developing efficient turbines. In addition, performance analysis and structural analysis are needed to evaluate the performance and structural safety. However, there are only a few exclusive studies on the development process of the radial inflow turbines for the organic Rankine cycle (ORC). In this study, a preliminary design of the ORC radial inflow turbine was performed. Subsequently, the performance and structural analysis were also carried out. The RTDM, which was developed as an in-house code, was used in the preliminary design process. The results of the performance analysis were found to be in good agreement with target performances. Structural analysis of the designed turbine was also carried out in order to determine whether the material selection for this study is suitable for the flow conditions of the designed turbine, and it was found that the selected aluminum alloy is suitable for the designed turbine. However, the reliability of the preliminary design algorithms and numerical methods should be strictly verified by an actual experimental test.

• Macromolecular Research
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• v.13 no.3
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• pp.167-175
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• 2005

This review explores recent works involving the use of the self-assembled nanoparticles of bile acid-modified glycol chitosans (BGCs) as a new drug carrier for cancer therapy. BGC nanoparticles were produced by chemically grafting different bile acids through the use of l-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC). The precise control of the size, structure, and hydrophobicity of the various BGC nanoparticles could be achieved by grafting different amounts of bile acids. The BGC nanoparticles so produced formed nanoparticles ranging in size from 210 to 850 nm in phosphate-buffered saline (PBS, pH=7.4), which exhibited substantially lower critical aggregation concentrations (0.038-0.260 mg/mL) than those of other low-molecular-weight surfactants, indicating that they possess high thermodynamic stability. The SOC nanoparticles could encapsulate small molecular peptides and hydrophobic anticancer drugs with a high loading efficiency and release them in a sustained manner. This review also highlights the biodistribution of the BGC nanoparticles, in order to demonstrate their accumulation in the tumor tissue, by utilizing the enhanced permeability and retention (EPR) effect. The different approaches used to optimize the delivery of drugs to treat cancer are also described in the last section.

• Journal of the Korean Chemical Society
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• v.33 no.6
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• pp.588-595
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• 1989

Log K, ${\Delta}$H and ${\Delta}$S for the complexation of $La^{3+},\;Ce^{3+}$ and $Eu^{3+}$with various multidentate ligand containing crown ether, diaza crown ether and diamine ether have been determined in methanol and acetonitril solutions at $25^{\circ}C$ by solution calorimetric titration method. The greater stability constant of $La^{3+}$-15C5 than those of 18C6 diaza [2.2] in methanol are discussed in terms of the size of metal ion and the ligand cavity and of metal ion solvation. The stabilities of $Ce^{3+}$ and $La^{3+}$ ion complexes with a various multidentate ligand in acetonitril are in the order of (diamine ether)<18C6<15C5$Ce^{3+}$, $La^{3+}$ and $Eu^{3+}$-diaza [2.2] complexes in acetonitril are increased with the following order: $Eu^{3+}$ < $La^{3+}$ < $Ce^{3+}$, that is increasing order of the optimum size and of the charge density of metal ion.

• Tunnel and Underground Space
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• v.21 no.6
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• pp.518-525
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• 2011

In this study, the natural ventilation pressure resulting from the large altitude difference which is a characteristic of high radioactive waste repository and the caloric value of the heat emitted by wastes was calculated and based on the results, natural ventilation quantities were calculated. A high radioactive waste repository can be considered as being operated through closed cycle thermodynamic processes similar to those of thermal engines. The heat produced by the heating of high radioactive wastes in the underground repository is added to the surrounding air, and the air goes up through the upcast vertical shaft due to the added heat while working on its surroundings. Part of the heat added by the work done by the air can be temporarily changed into mechanical energy to promote the air flow. Therefore, if a sustained and powerful heat source exists in the repository, the heat source will naturally enable continued cyclic flows of air. Based on this assumption, the quantity of natural ventilation made during the disposal of high radioactive wastes in a deep geological layer was mathematically calculated and based on the results, natural ventilation pressure of $74{\sim}183$Pa made by the stack effect was identified along with the resultant natural ventilation quantity of $92.5{\sim}147.7m^3/s$. The result of an analysis by CFD was $82{\sim}143m^3/s$ which was very similar to the results obtained by the mathematical method.