• Proceedings of the Korea Water Resources Association Conference
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• 2004.05b
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• pp.90-101
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• 2004

The present trend of disposing treated sewage water by allowing it to infiltrate the soil brings a new dimension to environmental problems. It is therefore necessary to identify the chemicals likely to be present in treated sewage water. A soil column experiment was conducted to determine the behavior of chemical species in soil columns applied with secondary treated sewage water. To predict the behavior of chemical species, a multicomponent solute transport model that includes the biochemical redox process and cation exchange process was developed. The model computes changes in concentration over time caused by the processes of advection, dispersion, biochemical reactions and cation exchange reactions. The solute transport model was able to predict the behavior of the different chemical species. The model reproduced the sequential reduction reaction. To design the safe depth of plow layer where $NO_3^-$ is totally reduced, a numerical study of $NO_3^-$ leach was done and it was found out that the pore velocity and concentration of $CH_2O$ at the inject water was found to affect $NO_3^-$ reduction in the mobile pore water phase. It is revealed that the multicomponent solute transport model is useful to design the land treatment system for $NO_3^-$ removal from wastewater.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2243-2248
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• 2011

Carbon-based solid acid catalyst was found to be highly efficient, eco-friendly and recyclable heterogeneous catalyst for the multicomponent reaction of dimedone, aromatic aldehydes, and a nitrogen source (ammonium acetate or aromatic amines) under solvent-free conditions, giving rise to 1,8-dioxodecahydroacridines in high yields. The present methodology offers several advantages, such as a simple procedure with an easy work-up, short reaction times, high yields, and the absence of any volatile and hazardous organic solvents.

• Journal of the Korean Chemical Society
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• v.53 no.2
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• pp.224-228
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• 2009

• Journal of the Korean Chemical Society
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• v.56 no.3
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• pp.328-333
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• 2012

A simple, convenient and practical green synthetic protocol for sodium bisulfite catalyzed multicomponent reaction of ethyl acetoacetate, hydrazine hydrate, malononitrile, and various aldehydes for the synthesis of 6-amino-4-phenyl-3-methyl-2,4-ihydropyrano[2,3-c]pyrazole-5-carbonitriles using ultrasound irradiations in solvent free condition. This method provides the advantage of operational simplicity, shorter reaction time and excellent yields making the protocol environment friendly and economically lucrative.

• Economic and Environmental Geology
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• v.25 no.3
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• pp.225-232
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• 1992

The hydrothermal alteration is evaluated using multicomponent equilibrium calculations with the program CHILLER for the reactions between hydrothermal water and rhyolite at the temperature of $300^{\circ}C$ and pressure of 500 bars. The chemical-reaction model on the depositional processes of the sericitite confirms that the hydrothermal water-rock interaction(hydrothermal alteration) is the main mechanism of the sericitite formation. The principal change in the aqueous phase during the reaction is the pH increase. Overall trends for the major species are the increase in total molalities of K, Ca, $SiO_2$, Al, Mg, Fe, Na, and sulfide in solid phase with hydrothermal water-rhyolite reaction and the decrease of them in aqeous solution by precipitation of hydrothermal products. Quartz and sericite are the first minerals to form. The sequence of minerals to precipitate following them is chlorite, epidote, pyrite and microcline as water/rock ratio decreases. Although calculated results cannot duplicate the complexities of natural hydrothermal alteration, the calculation provides thermodynamic constraints on the natural process. The calculation results resemble those of experimental studies. Sericitite forms where pH decreases and water/rock ratio increases.

• Journal of the Korean Chemical Society
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• v.61 no.4
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• pp.157-162
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• 2017

In the present study, nanocrystalline mixed metal oxide, $CuMnO_3$ catalyst have been synthesized by mechanochemical method with green chemistry approach. The synthesized catalyst was characterized by analytical techniques including FTIR, XRD, SEM, TEM and BET surface area. The synthesized catalyst shows high surface area is $121.06m^2/g$ with particle size 18 nm. The one pot four component synthesis of substituted 2-phenyl-4(3H) quinazolinone from the reaction of anthranilic acid, benzoyl chloride, hydrazine hydrate and substituted benzaldehyde in presence of $CuMnO_3$ nanocatalyst has been carried out. It affords the corresponding products with high yield (76-95%) in very short reaction time. All the obtained products were characterized with $^1HNMR$, $^{13}CNMR$, FTIR and EIMS.

• Nuclear Engineering and Technology
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• v.47 no.6
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• pp.700-711
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• 2015

Sodium-cooled fast breeder reactors use liquid sodium as a moderator and coolant to transfer heat from the reactor core. The main hazard associated with sodium is its rapid reaction with water. Sodium-water reaction (SWR) takes place when water or vapor leak into the sodium side through a crack on a heat-transfer tube in a steam generator. If the SWR continues for some time, the SWR will damage the surface of the defective area, causing it to enlarge. This self-enlargement of the crack is called "self-wastage phenomena." A stepwise numerical evaluation model of the self-wastage phenomena was devised using a computational code of multicomponent multiphase flow involving a sodium-water chemical reaction: sodiumwater reaction analysis physics of interdisciplinary multiphase flow (SERAPHIM). The temperature of gas mixture and the concentration of NaOH at the surface of the tube wall are obtained by a numerical calculation using SERAPHIM. Averaged thermophysical properties are used to assess the local wastage depth at the tube surface. By reflecting the wastage depth to the computational grid, the self-wastage phenomena are evaluated. A two-dimensional benchmark analysis of an SWAT (Sodium-Water reAction Test rig) experiment is carried out to evaluate the feasibility of the numerical model. Numerical results show that the geometry and scale of enlarged cracks show good agreement with the experimental result. Enlarged cracks appear to taper inward to a significantly smaller opening on the inside of the tube wall. The enlarged outer diameter of the crack is 4.72 mm, which shows good agreement with the experimental data (4.96 mm).

• Transactions of the Korean Society of Mechanical Engineers B
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• v.22 no.2
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• pp.193-204
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• 1998

Numerical analysis was performed with multicomponent transport properties and detailed reaction mechanisms for axisymmetric 2-D CH$_{4}$ jet diffusion flame. Calculations were carried out twice with the $C_{2}$-Thermal Mechanism including $C_{2}$ and thermal NO reactions and the $C_{2}$-Full Mechanism including prompt NO reactions in addition to the above $C_{2}$-Thermal NO mechanism. The results show that the flame structures such as flame temperature, major and minor species concentration are indifferent to respective mechanisms. The production path of Thermal NO is dominant comparing with that of Prompt NO in total NO production of pure CH$_{4}$ jet diffusion flame. This is because thermal NO mechanism mainly contributes to positive formation of NO in the whole flame region, but Prompt NO mechanism contributes to negative formation in the fuel rich region. In addition, 0$_{2}$ penetration near the nozzle outlet affects the flame structures, especially N0$_{2}$ formation characteristics.

• Journal of the Korean Chemical Society
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• v.66 no.3
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• pp.194-201
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• 2022

A simple, efficient, and cost-effective method has been employed for the synthesis of 2,4,5-trisubstituted imidazole derivatives (3a-j) containing quinoline substituent at 2^nd position. Title compounds were obtained by multicomponent reaction (MCR), involving aryl substituted 1,2-diketone, quinoline carbaldehyde and ammonium acetate in the presence of acetic acid solvent under mild reaction conditions. The newly synthesized quinoline containing imidazole derivatives were confirmed through FT-IR, ¹H-NMR, ¹³C-NMR and mass spectral analysis. In-vitro microplate alamar blue assay (MABA) to determine the MIC (minimum inhibitory concentration) values against Mycobacterium tuberculosis H37Rv was performed for the synthesized compounds. The synthesized compounds exhibited activity against Mycobacterium tuberculosis and among which compounds, 3d, 3f and 3i showed good activity. The highest activity was showed with compound 3i. The anti-mycobacterial activity results are well correlated with the computational molecular docking analysis, which was performed for the synthesized compounds prior to the evaluation of the activity.

• Bulletin of the Korean Chemical Society
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• v.33 no.8
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• pp.2679-2682
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• 2012

A simple one-pot synthesis of two derivatives of 1,4-dihydropyridines has been described under reflux conditions using copper iodide nanoparticles (CuI NPs) as a catalyst in high yields. This method demonstrated four-component coupling reactions of aldehydes and ammonium acetate via two pathways. In one route, the reaction was performed using 2 eq ethyl acetoacetate while in the other one 1 eq ethyl acetoacetate and 1 eq malononitrile were used. The CuI NPs was reused and recycled without any loss of activity and product yield. It is noteworthy to state that wide range of the 1,4-dihydropyridines have attracted large interest due to pharmacological and biological activities.