• Biotechnology and Bioprocess Engineering:BBE
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• v.11 no.1
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• pp.61-66
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• 2006

The simple Langmuir isotherm is frequently employed to describe the equilibrium behavior of protein adsorption on a wide variety of adsorbents. The two adjustable parameters of the Langmuir isotherm - the saturation capacity, or $q_m$, and the dissociation constant, $K_d$ - are usually estimated by fitting the isotherm equation to the equilibrium data acquired from batch equilibration experiments. In this study, we have evaluated the possibility of estimating $q_m$ and $K_d$ for the adsorption of bovine serum albumin to a cation exchanger using batch kinetic data. A rate model predicated on the kinetic form of the Langmuir isotherm, with three adjustable parameters ($q_m,\;K_d$, and a rate constant), was fitted to a single kinetic profile. The value of $q_m$ determined as the result of this approach was quantitatively consistent with the $q_m$ value derived from the traditional batch equilibrium data. However, the $K_d$ value could not be retrieved from the kinetic profile, as the model fit proved insensitive to this parameter. Sensitivity analysis provided significant insight into the identifiability of the three model parameters.

• Nuclear Engineering and Technology
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• v.33 no.2
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• pp.209-224
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• 2001

The SSC-K system analysis code is under development at the Korea Atomic Energy Research Institute (KAERI) as a part of the KALIMER project. The SSC-K code is being used as the principal tool for analyzing a variety of off-normal conditions or accidents of the preliminary KALIMER design. The SSC-K code features a multiple-channel core representation coupled with a point kinetics model with reactivity feedback. It provides a detailed, one-dimensional thermal-hydraulic simulation of the primary and secondary sodium coolant circuits, as well as the balance-of-plant steam/water circuit. Recently a two-dimensional hot pool model was incorporated into SSC-K for analysis of thermal stratification phenomena in the hot pool. In addition, SSC-K contains detailed models for the passive decay heat removal system and a generalized plant control system. The SSC-K code has also been applied to the computational engine for an interactive simulation of the KALIMER plant. This paper presents an overview of the recent activities concerned with SSC-K code model development This paper focuses on both descriptions of the newly adopted thermal hydraulic and neutronic models, and applications to KALIMER analyses for typical anticipated transients without scram.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2009.05a
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• pp.334-336
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• 2009

An elastic-plasticity model during the austenitic decomposition was derived and implemented to incorporate the two important deformation behaviors observed during the phase transformations: the volumetric strain and transformation induced plasticity due to the temperature change and phase transformation. To obtain transformed phase volume fractions during cooling, the fourth order Runge-Kutta method was used to solve the Kirkaldy's phase kinetics model which is function of temperature, austenitic grain size and chemical composition. The volumetric strain was calculated by considering the densities of constituent phases, while the transformation induced plasticity was based on the micro-plasticity due to the volume mismatch between soft austenitic phase and other harder phases. The constitutive equations were implemented into the implicit finite element software and a simple boundary value problem was chosen as a model problem to validate the effect of transformation plasticity on the deformation behavior of steel under cooling from high temperature. It was preliminary concluded that the transformation plasticity plays a critical role in relaxing the developed stress during forming and thus reducing the magnitude of springback.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2358-2366
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• 2013

Iron oxide (ferrihydrite, hematite, and magnetite) coated silica gels were prepared using a low-cost, easily-scalable and straightforward method as the adsorbent material for arsenic removal application. Adsorption of the anionic form of arsenic oxyacids, arsenite ($AsO^{2-}$) and arsenate ($AsO{_4}^{3-}$), onto hematite coated silica gel was fitted against non-linear 3-parameter-model Sips isotherm and 2-parameter-model Langmuir and Freundlich isotherm. Adsorption kinetics of arsenic could be well described by pseudo-second-order kinetic model and value of adsorption energy derived from non-linear Dubinin-Radushkevich isotherm suggests chemical adsorption. Although arsenic adsorption process was not affected by the presence of sulfate, chloride, and nitrate anions, as expected, bicarbonate and silicate gave moderate negative effects while the presence of phosphate anions significantly inhibited adsorption process of both arsenite and arsenate. When the actual efficiency to remove arsenic was tested against 1 L of artificial arsenic-contaminated groundwater (0.6 mg/L) in the presence competing anions, the reasonable amount (20 g) of hematite coated silica gel could reduce arsenic concentration to below the WHO permissible safety limit of drinking water of $10{\mu}g/L$ without adjusting pH and temperature, which would be highly advantageous for practical field application.

• Proceedings of the Korean Society of Propulsion Engineers Conference
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• 2017.05a
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• pp.462-468
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• 2017

KYP model is a pressure-based chemical kinetics that describes shock to detonation transition of energetic materials. In this research, the parameters of KYP model and JWL EOS for PETN-based explosive, namely PBXN-301, were determined. A series of unconfined rate stick tests and two dimensional hydrodynamic simulation were conducted to obtain the size effect behaviour of the explosive. As a result, it was confirmed that the parameters obtained from KYP modeling have more accuracy to predict the detonation velocities according to the inverse radius of PBXN-301 than the qualitatively obtained LLNL constitutive equations.

• Computers and Concrete
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• v.11 no.4
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• pp.271-289
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• 2013

In this research, a developed microstructural model of cement particles was presented to describe the cement hydration procedure. To simplify the hydration process, the whole hydration was analyzed in a series of sub-steps. In each step, the hydration degree, as well as the microstructural size of the hydration cell, was calculated as a function of the radius of the unreacted cement particles. With the consideration of the water consumption and the reduction of the interfacial area between water and hydration products, the micro-level expressions of the cement hydration kinetics were established. Then the heat released and temperature history of the concrete was carried out with the hydration degree obtained from each sub-steps. The equivalent age method based on the Arrhenius law was introduced in this research. Based on the equivalent age method, a maturity model was applied to describe the evolution of the mechanical properties of the material during the hydration process. The finite element program ANSYS was used to analyze the temperature field in concrete structures. Then thermal stress field was calculated using the elasticity modulus obtained from code formulate. And the risk of thermal cracking was estimated by the comparison of thermal stress and concrete tensile strength.

• Nuclear Engineering and Technology
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• v.19 no.3
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• pp.198-204
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• 1987

A plant simulation code, MCSIM (Micro-Computer SIMulator), has been developed to simulate plant transient accidents for pressurized water reactors. Reactor coolant system is modeled using decoupled energy and momentum equations, drift flux two-phase flow model and integral momentum equation. A two-fluid pressurizer model is used to simulate the pressurizer dynamics. Pot Boiler model is used for steam generator, steady-state decoupled energy and momentum equations for secondary side system, and point kinetics equations for nuclear power calculation. For test of the present version of MCSIM, complete loss of flow and RCCA withdrawal accidents are calculated with MCSIM. The results are compared with those in FSAR of KNU 5 & 6.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.438-438
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• 2010

The abnormal behavior of the argon metastable density during the E-H mode transition in argon ICP discharge was investigated. Lots of investigations including global models expected that during and after the mode transition of ICP discharge, the density of metastable increases with applied rf power (i.e. electron density). However, recent direct measurement of metastable density revealed that the metastable density of argon decreases with the applied power during and after the mode transition. This result may not be explained by the previous global model which is based on the assumption of the Maxwellian electron energy distribution function (EEDF). In this paper, to explain this abnormal behavior with simple manners, a simple global model taking account of the effect of the non-Maxwellian EEDFs incorporating into a set of coupled rate equations is proposed. The result showed that the calculated metastable density taking account of non-Maxwellian EEDF and its evolution during the transition has an abnormal behavior with electron density and is in good agreement with the previous measurement results, indicating the close coupling of electron kinetics and the behavior of metastable density. The proposed simple model is expected to provide qualitative kinetic insight to understand the behavior of the metastable density in various plasma discharges which typically exhibit non-Maxwellian distribution.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.35-35
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• 2010

Understanding the mechanistic details of heterogeneous catalytic reactions will provide a way to tune the selectivity between various competing reaction channels. In this regard, catalytic decomposition of alcohols over the rutile $TiO_2$(110) surface as a model oxide catalyst has been studied to understand the reaction mechanism employing the temperature-programmed desorption (TPD) technique. The $TiO_2$(110) model catalyst is found to be active toward alcohol dehydration. We find that the active sites are bridge-bonded oxygen vacancies where RO-H heterolytically dissociates and binds to the vacancy to produce alkoxy (RO-) and hydroxyl (HO-). Two protons adsorbed onto the bridge-bonded oxygen atoms (-OH) readily react with each other to form a water molecule at ~500 K and desorb from the surface. The alkoxy (RO-) undergoes decomposition at higher temperatures into the corresponding alkene. Here, the overall desorption kinetics is limited by a first-order decomposition of intermediate alkoxy (RO-) species bound to the vacancy. We show that detailed analysis on the yield and the desorption temperatures as a function of the alkyl substituents provides valuable insights into the reaction mechanism. After the catalytic role of the oxygen vacancies has been established, we employed x-ray photoelectron spectroscopy to further study the surface electronic structure related to the catalytically active defective sites. The defect-related state in valence band has been related to the chemically reduced $Ti^{3+}$ defects near the surface region and are found to be closely related to the catalytic activity of the $TiO_2$(110) surface.

• Bulletin of the Korean Chemical Society
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• v.17 no.9
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• pp.808-813
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• 1996

To explore protein folding mechanism, we simulated a folding pathway in a simplified 3×3×3 cubic lattice. In the lattice folding Monte Carlo simulations, each of the 28 possible native packing pairs that exist in the native conformation was used as a conformational restraint. The native packing restraints in the lattice model could be considered as a disulfide linkage restraint in a real protein. The results suggest that proteins denatured with a small disulfide loop can, but not always, fold faster than proteins without any disulfide linkage and than proteins with a larger disulfide loop. The results also suggest that there is a rough correlation between loop size of the native packing restraint and folding time. That is, the order of native residue-residue packing interaction in protein folding is likely dependent on the residue-residue distance in primary sequence. The strength of monomer-monomer pairwise interaction is not important in the determination of the packing order in lattice folding. From the folding simulations of five strong folding lattice sequences, it was also found that the context encoded in the primary sequence, which we do not yet clearly understand, plays more crucial role in the determination of detailed folding kinetics. Our restrained lattice model approach would provide a useful strategy to the future protein folding experiments by suggesting a protein engineering for the fast or slow folding research.