• Title/Summary/Keyword: Thermodynamic approach

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Influence of Sulfate on Thermodynamic Modeling of Hydration of Alkali Activated Slag (알칼리 활성 슬래그의 열역학적 수화모델링에 대한 황산염의 영향)

  • Lee, Hyo Kyoung;Park, Sol-Moi;Kim, Hyeong-Ki
    • Resources Recycling
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    • v.28 no.1
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    • pp.32-39
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    • 2019
  • The present study investigated hydration of alkali activated slag incorporating sulfate as a form of anhydrite by employing thermodynamic modeling using the Gibbs free energy minimization approach. Various parameters were evaluated in the thermodynamic calculations, such as presence of sulfide, precipitation/dissolution of AFt/AFm phase, and the effect of oxic condition on the predicted reaction. The calculations suggested no significant difference in the void volume and chemical shrinkage, which might influence the performance of the mixtures, in spite of various changes of the parameters. Although the types of hydration products and their amount varied according to the input conditions, their variations were smaller range than that induced by water-to-binder ratio. Moreover, it did not affect the amount of C-(N-)A-S-H which was the most important hydration product.

Typological Evolution of High-Rise Buildings in Terms of Thermodynamics and Energy Formation

  • Li, Linxue;Shen, Xiaofei;Qian, Ren
    • International Journal of High-Rise Buildings
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    • v.4 no.2
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    • pp.127-133
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    • 2015
  • High-rise buildings are frequently criticized for their absolutely artificial environments and high energy consumption. This paper tries to present an alternative approach to, and new prototypes for high-rise buildings through dialectic reconsideration of the responsive relation between high-rise buildings and environmental elements, in terms of thermodynamics and energy formation.

Roughening Transition of Crystals - Classical Thermodynamic Approach

  • Jo, Wook;Hwang, Nong-Moon;Kim, Doh-Yeon
    • Proceedings of the Korean Powder Metallurgy Institute Conference
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    • 2006.09a
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    • pp.60-61
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    • 2006
  • In this contribution, we attempted a theoretical analysis on the validity of the widely-accepted idea that rough and singular surfaces can coexist in a crystal at equilibrium. By manipulating the Cahn and Hoffman capillarity vector, the conclusion that a crystal at equilibrium should be composed either of singular surfaces or of rough ones was reached.

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Application of Monte Carlo Simulation to Intercalation Electrochemistry I. Thermodynamic Approach to Lithium Intercalation into LiMn2O4 Electrode

  • Kim, Sung-Woo;Pyun, Su-Il
    • Journal of the Korean Electrochemical Society
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    • v.5 no.2
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    • pp.79-85
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    • 2002
  • The present article is concerned with the application of the Monte Carlo simulation to electrochemistry of lithium intercalation from the thermodynamic view point. This article first introduced the fundamental concepts of the ensembles, and Ising and lattice gas models in statistical thermodynamics for the Monte Carlo simulation in brief. Finally the Monte Carlo method based upon the lattice gas model was employed to analyse thermodynamics of the lithium intercalation into the transition metal oxides. Especially we dealt with the thermodynamic properties as the electrode potential curve and the partial molar internal energy and entropy of lithium ion in the case of the $LiMn_2O_4$ electrode, and consequently confirmed the utility of the Monte Carlo method in the field of electrochemistry of the lithium intercalation.

Effects of fission product doping on the structure, electronic structure, mechanical and thermodynamic properties of uranium monocarbide: A first-principles study

  • Ru-Ting Liang;Tao Bo;Wan-Qiu Yin;Chang-Ming Nie;Lei Zhang;Zhi-Fang Chai;Wei-Qun Shi
    • Nuclear Engineering and Technology
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    • v.55 no.7
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    • pp.2556-2566
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    • 2023
  • A first-principle approach within the framework of density functional theory was employed to study the effect of vacancy defects and fission products (FPs) doping on the mechanical, electronic, and thermodynamic properties of uranium monocarbide (UC). Firstly, the calculated vacancy formation energies confirm that the C vacancy is more stable than the U vacancy. The solution energies indicate that FPs prefer to occupying in U site rather than in C site. Zr, Mo, Th, and Pu atoms tend to directly replace U atom and dissolve into the UC lattice. Besides, the results of the mechanical properties show that U vacancy reduces the compressive and deformation resistance of UC while C vacancy has little effect. The doping of all FPs except He has a repairing effect on the mechanical properties of U1-xC. In addition, significant modifications are observed in the phonon dispersion curves and partial phonon density of states (PhDOS) of UC1-x, ZrxU1-xC, MoxU1-xC, and RhxU1-xC, including narrow frequency gaps and overlapping phonon modes, which increase the phonon scattering and lead to deterioration of thermal expansion coefficient (αV) and heat capacity (Cp) of UC predicted by the quasi harmonic approximation (QHA) method.

A Case Study on Causes and Characteristics of the Local Snowstorm in Jeju Island During 23 January 2016 (2016년 1월 23일 제주도에 일어난 국지규모 폭설의 원인과 특징에 관한 사례 연구)

  • Yeo, Ji-Hye;Ha, Kyung-Ja
    • Atmosphere
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    • v.27 no.2
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    • pp.177-188
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    • 2017
  • The development mechanisms of an unusual heavy snowfall event, which occurred in the coast of Jeju Island on 23 January 2016 were investigated through a thermodynamic approach. The formation of heavy snowfall was attributed to the enhanced thermal convection in two ways. First, the convection was enhanced by the air-sea temperature difference between the cold air advection in low-troposphere associated with the strengthening of the Siberian High and abnormal warm sea surface temperature, which is $1{\sim}2^{\circ}C$ higher than normal year over the Yellow Sea (YS). Second, the convective instability was increased by the vertical temperature gradient between the 7 days-sustained cold air advection in low-troposphere and the abrupt cold air intrusion in mid-troposphere induced by the southward shift of a cold cut-off vortex ($-45^{\circ}C$) at the formation stage. Compared to the twelve hours prior to the formation, the low-level moisture increased by 5% through the moisture supply from the YS, and the air-sea temperature difference increased from $18.5^{\circ}C$ to $28.5^{\circ}C$. Furthermore, the upward sensible (latent) heat flux increased 1.5 (1.2) times over the YS before the twelve hours prior to the formation. Thereafter, the sustained moisture supply and upward turbulent heat flux helped to maintain the snowstorm.

RECURRENT PATTERNS IN DST TIME SERIES

  • Kim, Hee-Jeong;Lee, Dae-Young;Choe, Won-Gyu
    • Journal of Astronomy and Space Sciences
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    • v.20 no.2
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    • pp.101-108
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    • 2003
  • This study reports one approach for the classification of magnetic storms into recurrent patterns. A storm event is defined as a local minimum of Dst index. The analysis of Dst index for the period of year 1957 through year 2000 has demonstrated that a large portion of the storm events can be classified into a set of recurrent patterns. In our approach, the classification is performed by seeking a categorization that minimizes thermodynamic free energy which is defined as the sum of classification errors and entropy. The error is calculated as the squared sum of the value differences between events. The classification depends on the noise parameter T that represents the strength of the intrinsic error in the observation and classification process. The classification results would be applicable in space weather forecasting.

Evalution of Current interrupting capability in GCB by computational approach (전산수치해석을 통한 가스차단기의 차단성능 평가)

  • Choi, Y.K.;Lee, K.S.
    • Proceedings of the KIEE Conference
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    • 2002.07c
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    • pp.1677-1681
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    • 2002
  • A computational approach of the arc quenching process in GCB was developed. it is capable to calculates the thermodynamic quantities of the gas as a function of time taking into account of all spaces concerned with the arc quenching. Basically using so-called FLIC method, this program adoptes 'Simplified Enthalpy Arc Model', which is somewhat modified. And, to examine whether our works were done properly, it was simulated the whole process of the arc quenching that is based on self-flow generation phenomena/current interruption in a thermal expansion type circuit breaker. This program was verified by experiments, both showed fairly good agreement.

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Mechanochemical Approach for Oxide Reduction of Spent Nuclear Fuels for Pyroprocessing

  • Kim, Sung-Wook;Han, Seung Youb;Jang, Junhyuk;Jeon, Min Ku;Choi, Eun-Young
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.19 no.2
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    • pp.255-266
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    • 2021
  • Solid-state mechanochemical reduction combined with subsequent melting consolidation was suggested as a technical option for the oxide reduction in pyroprocessing. Ni ingot was produced from NiO as a starting material through this technique while Li metal was used as a reducing agent. To determine the technical feasibility of this approach for pyroprocessing, which handles spent nuclear fuels, thermodynamic calculations of the phase stabilities of various metal oxides of U and other fission elements were made when several alkaline and alkali-earth metals were used as reducing agents. This technique is expected to be beneficial, not only for oxide reduction but also for other unit processes involved in pyroprocessing.

Numerical Analysis of Cryogenic Liquid Nitrogen Jets at Supercritical Pressures using Multi-Environment Probability Density Function approach (다점 확률분포 모델을 이용한 초임계 압력 액체질소 제트 해석)

  • Jung, Kiyoung;Kim, Namsu;Kim, Yongmo
    • Journal of ILASS-Korea
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    • v.22 no.3
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    • pp.137-145
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    • 2017
  • This paper describes numerical modeling of transcritical and supercritical fluid flows within a liquid propellant rocket engine. In the present paper, turbulence is modeled by standard $k-{\varepsilon}$ model. A conserved scalar approach in conjunction with multi-environment probability density function model is used to account for the turbulent mixing of real-fluids in the transcritical and supercritical region. The two real-fluid equations of state and dense-fluid correction schemes for mixtures are used to construct thermodynamic data library based on the conserved scalar. In this study, calculations are made on two cryogenic nitrogen jets under different chamber pressures. Sensitivity analysis for two different real-fluid equations of sate is particularly emphasized. Based on numerical results, precise structures of cryogenic nitrogen jets are discussed in detail. Numerical results show that the current real-fluid model can predict the essential features of the cryogenic liquid nitrogen jets.