• Journal of the Korean Crystal Growth and Crystal Technology
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• v.12 no.3
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• pp.115-119
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• 2002

An adsorption isotherm on the heterogeneous surface which has spatially periodic adsorption heat distribution was formalized. Usefulness of the formalized adsorption isotherm is discussed with the help of a model calculation. Statistical thermodynamics is used throughout.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2011.04a
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• pp.119-122
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• 2011

분자동역학 전산모사를 통하여 에폭시에 다양한 반경의 구형 실리콘 카바이드를 삽입한 나노복합재를 모델링하고, 이들의 기계적 물성과 열적 물성 해석을 다양한 온도조건 하에서 수행하였다. 전산모사 결과 동일한 체적분율 하에서 나노복합재는 입자의 크기가 작아질수록 탄성계수와 전단계수가 상승하는 동시에 선팽창계수는 감소하는 입자의 크기효과를 보였다. 또한 온도 상승에 따른 기계적 물성의 하락이 잘 관찰되었다. 본 연구에서는 이러한 분자동역학 해석 결과를 바탕으로 다양한 온도조건 하에서의 입자의 크기효과를 고려한 멀티스케일 3상 모델을 제시하였다. 유리상 조건 범위에서 온도 변화에 따른 나노복합재 계면의 열응력텐서와 열변형률텐서의 정보를 통해 복합재 내에서 계면이 차지하는 부피비를 온도에 대한 함수로 고려하고, 이를 멀티스케일 모델에 반영함으로써 다양한 온도조건에 대한 나노복합재 열탄성 물성의 예측해를 제시하였다. 본 연구에서 제시한 모델에서 계산된 3상 복합재의 물성은 분자동역학 전산모사의 결과에서 나타나는 나노입자의 크기효과를 잘 반영하였다.

• Journal of the Korean Geotechnical Society
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• v.34 no.1
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• pp.17-24
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• 2018

A buffer in a geological disposal system minimizes groundwater inflow from the surrounding rock and protects the disposed high-level waste (HLW) against any mechanical impact. As decay heat of a spent fuel causes temperature variation in the buffer that affects the mechanical performance of the system, an accurate estimation of the temperature variation is substantial. The temperature variation is affected by thermal and material properties of the system such as thermal conductivity, density and specific heat capacity of the buffer, and thus these factors should be properly included in the design of the system. In particular, as the thermal properties are variable depending on the density and water content of the buffer, consideration of the effects should be included in the analysis. Hence, in this study, a numerical model based on finite element method (FEM) which is able to consider the change of density and water content of the buffer was established. In addition, using the numerical model, a parametric study was conducted to investigate the effect of each thermal property on the temperature variation of the buffer.

• Communications for Statistical Applications and Methods
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• v.15 no.1
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• pp.125-136
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• 2008

In many practical engineering design problems, the form of objective functions is not given explicitly in terms of design variables. Given the value of design variables, under this circumstance, the value of objective functions is obtained by real/computational experiments such as structural analysis, fluid mechanic analysis, thermodynamic analysis, and so on. These experiments are, in general, considerably expensive. In order to make the number of these experiments as few as possible, optimization is performed in parallel with predicting the form of objective functions. Response Surface Methods (RSM) are well known along this approach. This paper suggests to apply Support Vector Machines (SVM) for predicting the objective functions. One of most important tasks in this approach is to allocate sample data moderately in order to make the number of experiments as small as possible. It will be shown that the information of support vector can be used effectively to this aim. The effectiveness of our suggested method will be shown through numerical example which is well known in design of engineering.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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• v.9 no.1
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• pp.23-32
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• 2011

An engineering scale test, which is called KENTEX, was carried out to understand and to analyze the coupled thermal, hydrological and mechanical phenomena in the engineered barrier system(EBS) of Korean reference disposal system. Using the experimental data obtained from KENTEX, the water saturation processes in bentonite could be analyzed. From the comparison between the model calculation using ABAQUS and the experimental results, the difference of the water content between them in the unsaturating part was large because the drying phenomena due to moisture redistribution by the temperature gradient could not be included in the model. In the saturating part, the difference of the water content between them was decreased gradually and showed to be small in the full saturation. And the time of about 95% saturation could be estimated about 500 days from the model calculation and experimental results. Also it could be known that the moisture redistribution in the unsaturated part could not be affected on the saturation time of bentonite in the repository. Therefore, it is considered that this model could be used to quantitatively predict the water saturation time in bentonite as EBS for the disposal system.

• Journal of the Korean Chemical Society
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• v.43 no.6
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• pp.614-620
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• 1999

The critical micelle concentration (CMC) and the counterion binding constant (${\beta}$) at the CMC of the mixtures of Dodecylpyridinium chloride (DPC) and Tetradecyltrimethylammonium bromide (TTAB) have been determined from the concentration dependence of electrical conductance at various temperatures from $4^{\circ}C$ to $36^{\circ}C$. Thermodynamic parameters (${\Delta}C_p$, ${\Delta}G^o_m$, ${\Delta}H^o_m$ and ${\Delta}S^o_m$), associated with the micelle formation of DPC/TTAB mixtures, have been estimated from the temperature dependence of CMC and ${\beta}$values. The measured values of ${\Delta}C_p$ and ${\Delta}G^o_m$ are negative but the values of ${\Delta}S^o_m$ are positive in the whole measured temperature region. The values of ${\Delta}H^o_m$ are positive at low temperature region and negative at high temperature region. The results show that all of the thermodynamic parameters are dependent on temperature and mole fraction of DPC(${\alpha}_DPC$).

• Journal of the Korean Chemical Society
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• v.40 no.6
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• pp.420-426
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• 1996

The critical micelle concentration(CMC) and the counterion binding $constant(\beta)$ at the CMC of the mixtures of Sodium dodecylsulfate(SDS) with Sodium dodecylbenzenesulfonate(DBS) in aqueous solutions have been determined from the concentration dependence of electrical conductance at several temperatures from $15^{\circ}C$ to $35^{\circ}C.$ Thermodynamic parameters(${\Delta}C_p,\;{\Delta}G_m^{\circ},\;{\Delta}H_m^{\circ}$ 및 ${\Delta}S_m^{\circ}$ and ${\Delta}C_p$), associated with the micelle formation of SDS/DBS mixtures, have been estimated from the temperature dependence of CMC and $\beta$ values. The measured values of ${\Delta}G_m^{\circ}\;and\;{\Delta}C_p$ are negative but the values of ${\Delta}S_m/^{\circ}$ are positive in the whole measured temperature region. The significance of these thermodynamic parameters and their relation to the theory of the micelle formation of SDS/DBS mixtures have been also considered.

• Proceedings of the Materials Research Society of Korea Conference
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• 2010.05a
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• pp.46.1-46.1
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• 2010

일반적으로 석출물의 석출은 핵생성(Nucleation)-성장(Growth)-조대화(Coarsening)의 단계를 거친다. 핵생성에 의해 생성된 개개의 핵들은 아직 열역학적으로 평형 상태가 아니다. 석출물의 부피 분율은 아직 상태도에서 예측할 수 있는 값까지 도달하지 못했다. 과포화된 기지에서 생성된 핵은 계속적으로 기지로부터 용질 원자를 공급받아 성장하게 된다. 석출물의 성장은 그 부피 분율이 상태도에서 예상되는 값에 도달할 때까지 계속된다. 시간에 따른 석출 분율 계산과 분산된 석출물들이 matrix내에서 어느 정도 용해도를 갖는다면, 보다 작은 크기의 입자들은 용해되어 보다 큰 입자로 석출(성장)하려는 경향이 있다. 이러한 현상의 구동력은 전체 시스템의 계면 에너지 감소에 의해 주어지며, 결국 하나의 큰 입자만이 존재하게 될 것이다. 본 연구에서는 석출분율을 계산하기 위해 상용프로그램인 Pandat을 통해 Mg-Al 2원계합금의 상태도 및 석출분율 계산을 위한 열역학 데이터를 계산하였다. 계산된 열역학 데이터는 C언어로 함수화 하여 입력하고 Excell을 통해 석출분율을 계산하였다. 계산된 석출분율과 실험값의 비교를 통해 fitting parameters를 대입하여 계산값 및 실험값의 오차율을 줄였다. 본 연구에서 계산된 석출분율은 미래의 석출상 크기 및 분포 등을 개발하는 기초데이터로 활용할 수 있을 것이다.

• Journal of the Korean Applied Science and Technology
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• v.37 no.2
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• pp.250-259
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• 2020

The solubilization constant (K_s) was determined by the UV-Vis method to investigate the interaction between organic matter (solubilized substance) and surfactant in solubilization. Solubilization constants and thermodynamic functions, according to the hydrophobic interaction between organic mater (4-alkylanilines with different alkyl substituent length) and cationic surfactants (DTAB, TTAB, and CTAB, having different hydrophobic lengths), were measured and calculated at various temperatures and compared with each other. As a result, the hydrophobic interactions between organic matters and cationic micelles increased with increasing the chain length of solute's substituent as well as surfactant's hydrophobe. However, the hydrophobic effect by the alkyl substituent of organic matter was greater than the hydrophobic effect by the surfactant. In addition, the results of the calculated thermodynamic functions showed that 4-alkylaniline was solubilized at the deep place in the micelle and its solubilization was greatly dependent on both the hydrophobic effects of organic matter and surfactant. At the calculated iso-structural temperature, the difference between the maximum and minimum values was less than 1K within the experimental conditions.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.14 no.4
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• pp.751-759
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• 1994

Concrete contains numerous microcracks initially. The growth and propagation of microcracks cause failure of concrete. These processings are termed as "damage". The concepts of the continuum damage mechanics are presented and the damage evolution law and constitutive equation are derived by using the Helmholz free energy and the dissipation potential by means of the thermodynamic principles. The constitutive equation includes the effects of elasticity, damage and plasticity of concrete. The proposed model successfully predicts the nonlinear behavior of concrete subject to monotonic uniaxial and biaxial loadings.