• Resources Recycling
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• v.30 no.1
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• pp.14-25
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• 2021

As a demand of high-end steel raises, the importance of secondary refinement process also increases. However, the content of each component in molten steel, slag and inclusions change with the time, meaning the secondary refinement process is not an equilibrium state. Furthermore, many reactions occur between molten steel, slag, inclusion, refractory and alloying element during secondary refinement process. In order to consider the above complex reactions with non-equilibrium state, a few researchers developed kinetic models in secondary refinement process based on the experimental numerical equations. It is important to analyze and review to the previously reported models to develop a precise model. Therefore, in present study, the complex reaction models based on kinetic in secondary refinement process were analyzed, reviewed, and introduced. Moreover, the single reaction models also introduced which would be applied to the complex reaction models.

• Resources Recycling
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• v.30 no.1
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• pp.3-13
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• 2021

In the secondary refining process for the production of high-grade steel, the proper composition is maintained by alloying elements, and non-metallic inclusions are controlled for high cleanliness. Complex reactions occur simultaneously between the molten steel, slag, inclusions, refractories, and alloying elements during the secondary refining process. Previous works have reported simulation models based on kinetics to predict the compositional changes in molten steel, slag, and inclusions in actual processes. Analytical reviews are required for the models to predict the process accurately. In this study, we reviewed and analyzed simulation models based on the coupled reaction model for the secondary refining process.

• Journal of Environmental Science International
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• v.20 no.1
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• pp.119-126
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• 2011

In this study, reaction model and reactions rate accelerated by o-iodosobenzoate ion(IB$^{\ominus}$) on hydrolysis reaction of p-nitrophenyl valate(NPV) using ethyl tri-octyl ammonium mesylate(ETAMs) for quaternary ammonium salts, the phase transfer catalysis(PTC) reagent, were investigated. The effect of IB$^{\ominus}$ on hydrolysis reaction rate constant of NPV was weak without ETAMs solutions. Otherwise, in ETAMs solutions, the hydrolysis reactions exhibit higher first order kinetics with respect to the nucleophile, IB$^{\ominus}$, and ETAMs, suggesting that reactions are occurring in small aggregates of the three species including the substrate(NPV), whereas the reaction of NPV with OH$^{\ominus}$ is not catalyzed by ETAMs. Different concentrations of NPV were tested to measure the change of rate constants to investigate the effect of NPV as substrate and the results showed that the effect was weak. This means the reaction would be the first order kinetics with respect to the nucleophile. This behavior for the drastic rate-enhancement of the hydrolysis is referred as 'Aggregation complex model' for reaction of hydrophobic organic ester with o-iodosobenzoate ion(IB$^{\ominus}$) in hydrophobic quarternary ammonium salt(ETAMs) solutions.

• Bulletin of the Korean Chemical Society
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• v.29 no.10
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• pp.1898-1904
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• 2008

Study of computational model of the concerted Diels-Alder reaction between 9,10-dimethyl anthracene (as donor) and tetracyanoethylene (as acceptor) in absence and in presence of aromatic solvents (benzene, mesitylene and hexamethylbenzene, as donors) using an AM1 semi-empirical method. AM1 method used to study the neutral charge transfer complex models that could be expected between donor and acceptor during the course of the concerted Diels-Alder reaction. Calculated enthalpies of reaction of the charge transfer complexes models showed physical and chemical meaning for explain the effect of aromatic solvents on the kinetic process of concerted Diels-Alder reaction that contains tetracyanoethylene.

• Journal of Environmental Science International
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• v.16 no.5
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• pp.641-647
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• 2007

The phase transfer catalysis(PTC) reagent, ethyl tri-octyl ammonium bromide(ETABr), strongly catalyzes the reaction of p-nitrophenyi diphenyl phosphinate(p-NPDPIN) with benzimidazole(BI) and its anion($BI^{\theta}$). In ETABr solutions, the dephosphorylation reactions exhibit higher first order kinetics with respect to the nucleophile, BI, and ETABr, suggesting that reactions are occuring in small aggregates of the three species including the sub-strate(p-NPDPIN), whereas the reaction of p-NPDPIN with $OH^{\theta}$ is not catalyzed by ETABr. This behavior for the drastic rate-enhancement of the dephosphorylation is referred as 'aggregation complex model' for reaction of hydrophobic organic phosphinates with benzimidazole(BI) in hydrophobic quarternary ammonium salt(ETABr) solutions.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.26 no.5
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• pp.209-214
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• 2016

Foam reaction injection molding (FRIM) is a widely used process for manufacturing polyurethane foam with complex shapes. Numerical model for polyurethane foam forming reaction during FRIM process has been intensively investigated by a number of researchers to precisely predict final shapes of polyurethane foams. In this study, we have identified a problem related with a previous theoretical model for polyurethane foam forming reaction. Thus, previous theoretical model was modified based on experimental and computational results.

• Geomechanics and Engineering
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• v.28 no.1
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• pp.89-105
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• 2022

The behavior of the soil subgrade is complex and irregular against loads. When modeling, the soil is often replaced by a more straightforward system called a subgrade model. The Winkler method of linear elastic springs is a popular method of soil modeling in which the spring constant shows the modulus of subgrade reaction. In this research, the factors affecting the distribution of the modulus of subgrade reaction of elastoplastic subgrades are examined. For this purpose, critical theories about the modulus of subgrade reaction were examined. A square raft foundation on a sandy soil subgrade with was analyzed at different internal friction angles and Young's modulus values using ABAQUS software. To accurately model the actual soil behavior, the elastic, perfectly plastic constitutive model was applied to investigate a foundation on discrete springs. In order to increase the accuracy of soil modeling, equations have been proposed for the distribution of the subgrade reaction modulus. The constitutive model of the springs is elastic, perfectly plastic. It was observed that the modulus of subgrade reaction under an elastic load decreased when moving from the corner to the center of the foundation. For the ultimate load, the modulus of subgrade reaction increased as it moved from the corner to the center of the foundation.

• Journal of Korean Society of Environmental Engineers
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• v.30 no.2
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• pp.199-206
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• 2008

Simultaneous nitrification and denitrification means that nitrification and denitrification occur concurrently in the same reaction vessel under low DO concentration. Some mathematical models developed to simulate simultaneous nitrification and denitrification reaction, but they have the complex model structures or have limitations of model application. To solve these problems, if possible that predict the behavior of simultaneous nitrification and denitrification reaction by activated sludge model, structures of the model is less complex than previous models and applies the various operation conditions. But original activated sludge models have difficulties in representing the denitrification reaction under aerobic condition. So the aim of this study is to interpret simultaneous nitrification and denitrification reaction by modifying activated sludge model. Original activated sludge model No.1(ASM1) was selected and modified. The simulation result in modified ASM1 predicted appropriately for the measured data. This indicates the structures of ASM1 are properly improved for interpretation of simultaneous nitrification and denitrification reaction.

• Computers and Concrete
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• v.13 no.1
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• pp.97-115
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• 2014

Silica fume is a by-product of induction arc furnaces and has long been used as a mineral admixture to produce high-strength, high-performance concrete. Due to the pozzolanic reaction between calcium hydroxide and silica fume, compared with that of Portland cement, the hydration of concrete containing silica fume is much more complex. In this paper, by considering the production of calcium hydroxide in cement hydration and its consumption in the pozzolanic reaction, a numerical model is proposed to simulate the hydration of concrete containing silica fume. The heat evolution rate of silica fume concrete is determined from the contribution of cement hydration and the pozzolanic reaction. Furthermore, the temperature distribution and temperature history in hardening blended concrete are evaluated based on the degree of hydration of the cement and the mineral admixtures. The proposed model is verified through experimental data on concrete with different water-to-cement ratios and mineral admixture substitution ratios.

• The Journal of Natural Sciences
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• v.5 no.1
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• pp.77-86
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• 1992

By cation-exchange-reaction long-chain organic cationic tensides can be intercalated in the montmorillonite layer space, and thus intercalations-complexes of montmorillonite with different properties of materials can be obtained. Such intercalations-complexes are finding strong technical appliances in many areas and are also used very often as model-systems for studying behaviors of materials. Therefore in this research intercalations-complexes of montmorillonite with organic cationic tensides ad model-systems were synthesized and their behabiors under various different conditions were studied.