• Journal of the Korean Magnetics Society
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• v.21 no.4
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• pp.127-131
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• 2011

In this paper, we study the electronic and magnetic properties of Cr substituted SiTe in the rock-salt structure compound using the full potential linearized augmented plane wave method within the generalized gradient approximation to the exchange correlation potential. Two stoichiometries are studied: $CrSi_3Te_4$ with 25 %, and $CrSiTe_2$ with 50 % Cr substitution. We found, from the total energy calculations, that the equilibrium lattice constant for cubic $CrSi_3Te_4$ is 11.64 a.u. and a = 7.89 a.u. and c = 11.13 a.u. for tetragonal $CrSiTe_2$. The integer value of the calculated magnetic moment per unit cell, $4{\mu}_B$ for $CrSiTe_2$ suggests that this compound is halfmetallic. The magnetic moment per unit cell for $CrSi_3Te_4$ is slightly larger than $4{\mu}_B$. The magnetic moment on Cr atoms are 3.61 and $3.62{\mu}_B$ in the $CrSi_3Te_4$ and $CrSiTe_2$, respectively. The presence of Cr atoms causes that the other atoms become slightly magnetized in both compounds. The electronic properties and the magnetism are discussed with the calculated spin-polarized density of states.

• Resources Recycling
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• v.31 no.1
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• pp.46-55
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• 2022

The recycling of coated cemented carbide scraps is becoming increasingly significant for the recovery of rare metals. However, coatings consisting of Group IV and V transition metal nitrides are one of the challenging factors in obtaining high-purity materials. We investigated the structural, elastic, and mechanical properties of Group IV and V transition-metal nitrides (TiN, VN, ZrN, NbN, HfN, and TaN) using first-principle calculations. Convergence tests were performed to obtain reliable calculated results. The equilibrium structures of the nitrides were in good agreement with those of a previous study, indicating the reliability of the data. Group IV transition metal nitrides show a higher covalent bonding nature. Thus, they exhibit a higher degree of brittleness than that of Group V transition metal nitrides. In contrast, Group V transition metal nitrides show weaker resistance to shear loading and more ductile behavior than Group IV transition metal nitrides because of the metallic bonds characterized by valence electron concentration. The results of the crystal orbital Hamilton population analysis showed good agreement with the shear resistance tendencies of all transition metal nitrides.

• Journal of Korean Tunnelling and Underground Space Association
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• v.20 no.3
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• pp.543-560
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• 2018

With the increased development in downtown underground space facilities that vertically cross under a railway at a shallow depth, the demand for non-open cut method is increasing. However, most construction sites still adopt the pipe roof method, where medium and large diameter steel pipes are pressed in to form a roof, enabling excavation of the inside space. Among the many factors that influence the loosening region and loads that occur while pressing in steel pipes, the size of the pipe has the largest impact, and this factor may correspond to the magnitude of load applied to the underground structure inside the steel pipe roof. The super equilibrium method (SEM) has been developed to minimize ground disturbance and loosening load, and uses small diameter pipes of approximately 114 mm instead of conventional medium and large diameter pipes. This small diameter steel pipe is called an SEM pile. After SEM piles are pressed in and the grouting reinforcement is constructed, a crossing structure is pressed in by using a hydraulic jack without ground subsidence or heaving. The SEM pile, which plays the role of timbering, is a fore-poling pile of approximately 5 m length that prevents ground collapse and supports surface load during excavation of toe part. The loosening region should be adequately calculated to estimate the spacing and construction length of the piles and stiffness of members. In this paper, we conducted a comparative analysis of calculations of loosening load that occurs during the press-in of SEM pile to obtain an optimal design of SEM. We analyzed the influence of factors in main theoretical and empirical formulas applied for calculating loosening regions, and carried out FEM analysis to see an appropriate loosening load to the SEM pile. In order to estimate the soil loosening caused by actual SEM-pile indentation and excavation, a steel pipe indentation reduction model test was conducted. Soil subsidence and soil loosening were investigated quantitatively according to soil/steel pipe (H/D).

• Clean Technology
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• v.29 no.3
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• pp.193-199
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• 2023

Biomass has been used to secure renewable energy certificates (REC) in domestic and overseas coal-fired power plants. In recent years, biofuel has been diversified from traditional wood pellets to non-woody biomass. Non-woody biomass has a higher content of alkaline metals such as K and Na than wood-based biomass, resulting in a lower melting point and an increase in slagging on boiler tubes, which reduces boiler efficiency. This study analyzed the effect of kaolin, an additive commonly used to increase melting points, on biomass co-firing to coal through thermochemical equilibrium calculations. In a previous experiment on biomass co-firing to coal conducted at 80 kW_th, it was interpreted that the use of kaolin actually increased the amount of fouling. In this study, analysis showed that when kaolin was added, aluminosilicate compounds were generated due to Al₂O₃, which is abundant in coal, and mullite was formed. Thus, it was confirmed that the amount of slag increased when more kaolin was used. Further analysis was conducted by increasing the biomass co-firing rate from 0% to 100% at 10% intervals, and the results showed non-linear liquid slag generation. As a result, it was found that the least amount of liquid slag was generated when the biomass co-firing rate was between 50 and 60%. The phase diagram analysis showed that high melting point compounds such as leucite and feldspar were most abundantly generated under these conditions.

• Korean Chemical Engineering Research
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• v.52 no.5
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• pp.657-666
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• 2014

Coal gasification technology is considered as next generation clean coal technology even though it uses coal as fuel which releases huge amount of greenhouse gas because it has many advantages for carbon capture. Coal or pet-coke slurry gasification is very attractive technology at present and in the future because of its low construction cost and flexibility of slurry feeding system in spite of lower efficiency compared to dry feeding technology. In this study, we carried out gasification experiment using bituminous coal slurry sample by integrating coal slurry feeding facility and slurry burner into existing dry feeding compact gasifier. Especially, our experiment was conducted under fairly lower operation temperature than that of existing entrained-bed gasifier, resulting in partial slagging operation mode in which only part of ash was converted to slag and the rest of ash was released as fly ash. Carbon conversion rate was calculated from data analysis of collected slag and ash, and then cold gas efficiency, which is the most important indicator of gasifier performance, was estimated by carbon mass balance method. Fairly high performance considering pilot-scale experiment, 98.5% of carbon conversion and 60.4% of cold gas efficiency, was achieved. In addition, soundness of experimental result was verified from the comparison with chemical equilibrium composition and energy balance calculations.

• Journal of Wetlands Research
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• v.24 no.4
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• pp.345-353
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• 2022

A wastewater treatment plant (WWTP) is a major gateway for the engineered nano-particles (ENPs) entering the water bodies. However existing studies have reported that many WWTPs exceed the No Observed Effective Concentration (NOEC) for ENPs in the effluent and thus they need to be designed or operated to more effectively control ENPs. Understanding and predicting ENPs behaviors in the unit and \the whole process of a WWTP should be the key first step to develop strategies for controlling ENPs using a WWTP. This study aims to provide a modeling tool for predicting behaviors and removal efficiencies of ENPs in a WWTP associated with process characteristics and major operating conditions. In the developed model, four unit processes for water treatment (primary clarifier, bioreactor, secondary clarifier, and tertiary treatment unit) were considered. Additionally the model simulates the sludge treatment system as a single process that integrates multiple unit processes including thickeners, digesters, and dewatering units. The simulated ENP was nano-sized TiO₂, (nano-TiO₂) assuming that its behavior in a WWTP is dominated by the attachment with suspendid solids (SS), while dissolution and transformation are insignificant. The attachment mechanism of nano-TiO₂ to SS was incorporated into the model equations using the apparent solid-liquid partition coefficient (Kd) under the equilibrium assumption between solid and liquid phase, and a steady state condition of nano-TiO₂ was assumed. Furthermore, an MS Excel-based user interface was developed to provide user-friendly environment for the nano-TiO₂ removal efficiency calculations. Using the developed model, a preliminary simulation was conducted to examine how the solid retention time (SRT), a major operating variable affects the removal efficiency of nano-TiO₂ particles in a WWTP.