• Title/Summary/Keyword: thermodynamic model

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Fracture and Hygrothermal Effects in Composite Materials (복합재의 파괴와 hygrothermal 효과에 관한 연구)

  • Kook-Chan Ahn;Nam-Kyung Kim
    • Journal of the Korean Society of Safety
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    • v.11 no.4
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    • pp.143-150
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    • 1996
  • This is an explicit-Implicit, finite element analysis for linear as well as nonlinear hygrothermal stress problems. Additional features, such as moisture diffusion equation, crack element and virtual crack extension(VCE ) method for evaluating J-integral are implemented in this program. The Linear Elastic Fracture Mechanics(LEFM) Theory is employed to estimate the crack driving force under the transient condition for and existing crack. Pores in materials are assumed to be saturated with moisture in the liquid form at the room temperature, which may vaporize as the temperature increases. The vaporization effects on the crack driving force are also studied. The Ideal gas equation is employed to estimate the thermodynamic pressure due to vaporization at each time step after solving basic nodal values. A set of field equations governing the time dependent response of porous media are derived from balance laws based on the mixture theory Darcy's law Is assumed for the fluid flow through the porous media. Perzyna's viscoplastic model incorporating the Von-Mises yield criterion are implemented. The Green-Naghdi stress rate is used for the invariant of stress tensor under superposed rigid body motion. Isotropic elements are used for the spatial discretization and an iterative scheme based on the full newton-Raphson method is used for solving the nonlinear governing equations.

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Adsorption Characteristics of Reactive Red 120 by Coal-based Granular Activated Carbon : Isotherm, Kinetic and Thermodynamic Parameters (석탄계 입상활성탄에 의한 Reactive Red 120의 흡착 특성 : 등온선, 동력학 및 열역학 파라미터)

  • Lee, Jong Jib
    • Applied Chemistry for Engineering
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    • v.31 no.2
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    • pp.164-171
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    • 2020
  • Adsorption characteristics of reactive red 120 (RR 120) dye by a coal-based granular activated carbon (CGAC) from an aqueous solution were investigated using the amount of activated carbon, pH, initial concentration, contact time and temperature as adsorption variables. Isotherm equilibrium relationship showed that Langmuir's equation fits better than that of Freundlich's equation. The adsorption mechanism was considered to be superior to the adsorption of monolayer with uniform energy distribution. From the evaluated Langmuir separation coefficients (RL = 0.181~0.644), it was found that this adsorption process belongs to an effective treatment area (RL = 0~1). The adsorption energy determined by Temkin's equation and Dubinin-Radushkevich's equation was E = 15.31~7.12 J/mol and B = 0.223~0.365 kJ/mol, respectively. The adsorption process showed the physical adsorption (E < 20 J/mol and B < 8 kJ/mol). The adsorption kinetics followed the pseudo first order model. The adsorption reaction of RR 120 dye on CGAC was found to increase spontaneously with increasing the temperature because the free energy change decreased with increasing the temperature. The enthalpy change (12.747 kJ/mol) indicated an endothermic reaction. The isosteric heat of adsorption (△Hx = 9.78~24.21 kJ/mol) for the adsorption reaction of RR 120 by CGAC was revealed to be the physical adsorption (△Hx < 80 kJ/mol).

Effect of Critical Cooling Rate on the Formation of Intermetallic Phase During Rapid Solidification of FeNbHfBPC Alloy

  • Kim, Song-Yi;Oh, Hye-Ryeong;Lee, A-Young;Jang, Haneul;Lee, Seok-Jae;Kim, Hwi-Jun;Lee, Min-Ha
    • Journal of Korea Foundry Society
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    • v.41 no.3
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    • pp.235-240
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    • 2021
  • We present the effect of the critical cooling rate during rapid solidification on the nucleation of precipitates in an Fe75B13P5Nb2Hf1C4 (at.%) alloy. The thermophysical properties of the rapidly solidified Fe75B13P5Nb2Hf1C4 liquids, which were obtained at various cooling rates with various sizes of gas-atomized powder during a high-pressure inert gas-atomization process, were evaluated. The cooling rate of the small-particle powder (≤20 ㎛) was 8.4×105 K/s, which was 13.5 times faster than that of the large-particle powder (20 to 45 mm; 6.2×104 K/s) under an atomized temperature. A thermodynamic calculation model used to predict the nucleation of the precipitates was confirmed by the microstructural observation of MC-type carbide in the Fe75B13P5Nb2Hf1C4 alloy. The primary carbide phase was only formed in the large-particle gas-atomized powder obtained during solidification at a slow cooling rate compared to that of the small-particle powder.

Characteristics and Parameters for Adsorption of Carbol Fuchsin Dye by Coal-based Activated Carbon: Kinetic and Thermodynamic (석탄계 활성탄에 의한 Carbol Fuchsin의 흡착 특성과 파라미터: 동력학 및 열역학)

  • Lee, Jong Jib
    • Applied Chemistry for Engineering
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    • v.32 no.3
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    • pp.283-289
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    • 2021
  • Adsorption characteristics of carbol fuchsin (CF) dye by coal-based activated carbon (CAC) were investigated using pH, initial concentration, temperature and contact time as adsorption variables. CF dissociates in water to have a cation, NH2+, which is bonded to the negatively charged surface of the activated carbon in the basic region by electrostatic attraction. Under the optimum condition of pH 11, 96.6% of the initial concentration was adsorbed. Isothermal adsorption behavior was analyzed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models. Langmuir's equation was the best fit for the experimental results. Therefore, the adsorption mechanism was expected to be adsorbed as a monolayer on the surface of activated carbon with a uniform energy distribution. From the evaluated Langmuir's dimensionless separation coefficients (RL = 0.503~0.672), it was found that CF can be effectively treated by activated carbon. The adsorption energies determined by Temkin and Dubinin-Radushkevich models were E = 15.31~7.12 J/mol and B = 0.223~0.365 kJ/mol, respectively. Therefore, the adsorption process was physical (E < 20 J/mol, B < 8 kJ/mol). The experimental result of adsorption kinetics fit better the pseudo second order model. In the adsorption reaction of CF dye to CAC, the negative free energy change increased as the temperature increased. It was found that the spontaneity also increased with increasing temperature. The positive enthalpy change (40.09 kJ/mol) indicated an endothermic reaction.

Numerical Simulation of Ocean - Ice Shelf Interaction: Water Mass Circulation in the Terra Nova Bay, Antarctica (해양-빙붕 상호작용을 고려한 남극 테라노바 만에서 수괴 형성과 순환의 수치 시뮬레이션)

  • Taekyun, Kim;Emilia Kyung, Jin;Ji Sung, Na;Choon Ki, Lee;Won Sang, Lee;Jae-Hong, Moon
    • Ocean and Polar Research
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    • v.44 no.4
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    • pp.269-285
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    • 2022
  • The interaction between ocean and ice shelf is a critical physical process in relation to water mass transformations and ice shelf melting/freezing at the ocean-ice interface. However, it remains challenging to thoroughly understand the process due to a lack of observational data with respect to ice shelf cavities. This is the first study to simulate the variability and circulation of water mass both overlying the continental shelf and underneath an ice shelf and an ice tongue in the Terra Nova Bay (TNB), East Antarctica. To explore the properties of water mass and circulation patterns in the TNB and the corresponding effects on sub ice shelf basal melting, we explicitly incorporate the dynamic-thermodynamic processes acting on the ice shelf in the Regional Ocean Modeling System. The simulated water mass formation and circulation in the TNB region agree well with previous studies. The model results show that the TNB circulation is dominated by the geostrophic currents driven by lateral density gradients induced by the releasing of brine or freshwater at the polynya of the TNB. Meanwhile, the circulation dynamics in the cavity under the Nansen Ice shelf (NIS) are different from those in the TNB. The gravity-driven bottom current induced by High Salinity Shelf Water (HSSW) formed at the TNB polynya flows towards the grounding line, and the buoyance-driven flow associated with glacial meltwater generated by the HSSW emerges from the cavity along the ice base. Both current systems compose the thermohaline overturning circulation in the NIS cavity. This study estimates the NIS basal melting rate to be 0.98 m/a, which is comparable to the previously observed melt rate. However, the melting rate shows a significant variation in space and time.

Adsorption Behaviors of Amphiphilic AuNPs at the Interface between Diverse organic Solvents and Water (다양한 유기용매와 물 경계면에서의 양친매성 금나노입자의 흡착 거동)

  • Yeon-Su Lim;Yeong-min Lee;Kyo-Chan Koo;Hee-Young Lee
    • Journal of Adhesion and Interface
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    • v.25 no.1
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    • pp.157-161
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    • 2024
  • Amphiphilic gold nanoparticles, synthesized by the simultaneous binding of hydrophilic and hydrophobic ligands on their surfaces, find diverse applications in energy, bio, optical, electronic technologies, and various other fields. Particularly, these amphiphilic gold nanoparticles possess both hydrophilic and hydrophobic characteristics, enabling them to activate interface at the interface of immiscible fluids and form organized structures. The surface properties of gold nanoparticles play a crucial role in influencing the behaviors of amphiphilic gold nanoparticles at the interface of two fluids. Therefore, this study investigated the adsorption behaviors of gold nanoparticles at the organic solvent-water interface based on the surface characteristics of amphiphilic gold nanoparticles and the type of organic solvents. It was observed that the amount of adsorbed gold nanoparticles at the interface increased with the length of hydrocarbon chains in hydrophobic ligands and increased with shorter hydrocarbon chains in the organic solvent. Furthermore, using the Langmuir isotherm model, the study confirmed the formation of a monolayer by amphiphilic gold nanoparticles and obtained significant thermodynamic parameters simultaneously.

A Model for the $3_{10}$/$\alpha$ Helix Transitions of $\alpha$-Aminoisobutyric Acid-Alanine Oligopeptide ($\alpha$-아미노이소부틸산-알라닌 올리고 펩티드의 $3_{10}$/$\alpha$ 나선 전이에 관한 모형)

  • Kim, Yeong Gu;Park, Hyeong Seok
    • Journal of the Korean Chemical Society
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    • v.38 no.10
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    • pp.710-718
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    • 1994
  • We suggest a statistical thermodynamic theory for the conformational transition of a synthetic alanine (Ala), ${\alpha}$-aminoisobutyric acid (Aib) alternative oligopeptide, Buo-(Ala-Aib)$_n$-oMe, where the terminal groups Buo and oMe stand for t-butoxy and methoxy, respectively. Pure Aib homo-oligomers have always been found to adopt $3_{10}$ helical conformations, while polyalanine has always $\alpha$ helical conformation. In an organic solvent (e.g. $CD_3$CN) it shows that the length for the $3_{10}$/${\alpha}$ helix transitions of Buo-(Ala-Aib)$_n$-oMe, is 8 at room temperature. In an aqueous solution oligopeptide has always coil conformation at room temperature. In an organic solution, helical structures of the oligopeptide are more stable than coil structure, so we studied the $$3_{10}/\alpha$ helix transitions, considering coiled-conformations, coiled and $3_{10}$ helical conformations, and coiled and $\alpha$ helical conformations by using the zipper model. We determined the values of parameters ($\sigma_A$, $\sigma_T$, $\xi_A$, $\xi_T$) from the relating published data; $\sigma_A$ = 0.00011, $\sigma_T$ = 0.0060, $\xi_A$ = 10.1, $\xi_T$ = 3.90. The distributions of $\alpha$ helical length can be N-2, N-3, N-4, ${\cdots}$, 3, 2, 1 (N = 2n) while those of $3_{10}$ helical length, N-1, N-2, N-3, N-4, ${\cdots}$, 3, 2, 1.

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Development of Mixed-bed Ion Exchange Resin Capsule for Water Quality Monitoring (수질 중 질소와 인 모니터링을 위한 혼합이온교환수지 캡슐의 개발)

  • Park, Chang-Jin;Kim, Dong-Kuk;Ok, Yong-Sik;Ryu, Kyung-Ryul;Lee, Ju-Young;Zhang, Yong-Seon;Yang, Jae-E
    • Applied Biological Chemistry
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    • v.47 no.3
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    • pp.344-350
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    • 2004
  • This study was conducted to develop and assess the applicability of mixed-bed ion exchange resin capsules for water quality monitoring in small agricultural watershed. Recoveries of resin capsules for inorganic N and P ranged from 96 to 102%. The net activation energies and pseudo-thermodynamic parameters, such as ${\Delta}G^{o\ddag},\;{\Delta}H^{o\ddag},\;and\;{\Delta}S^{o\ddag}$ for ion adsorption by resin capsules, exhibited relatively low values, indicating the process might be governed by chemical reactions such as diffusion. However, those values increased with temperature coinciding with the theory. The reaction reached pseudo-equilibrium within 24 hours for $NH_4-N\;and\;NO_3-N$, and only 8 hours for $PO_4-P$, respectively. The selectivity of resin capsules were in the order of $NO_3\;^-\;>\;NH_4\;^+\;>\;PO_4\;^{3-}$, coinciding with that of encapsulated Amberlite IRN-150 resin. At the initial state of equilibrium, the resin adsorption quantity was linearly proportional to the mass of ions in the streams, but the rate of movement leveled off, following Langmuir-type sorption isotherm. The overall results demonstrated that the resin capsule system was suitable for water quality monitoring in small agricultural watershed, judging from the reaction mechanism(s) of the resin capsule and the significance of model in field calibration.

Impact of Sulfur Dioxide Impurity on Process Design of $CO_2$ Offshore Geological Storage: Evaluation of Physical Property Models and Optimization of Binary Parameter (이산화황 불순물이 이산화탄소 해양 지중저장 공정설계에 미치는 영향 평가: 상태량 모델의 비교 분석 및 이성분 매개변수 최적화)

  • Huh, Cheol;Kang, Seong-Gil;Cho, Mang-Ik
    • Journal of the Korean Society for Marine Environment & Energy
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    • v.13 no.3
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    • pp.187-197
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    • 2010
  • Carbon dioxide Capture and Storage(CCS) is regarded as one of the most promising options to response climate change. CCS is a three-stage process consisting of the capture of carbon dioxide($CO_2$), the transport of $CO_2$ to a storage location, and the long term isolation of $CO_2$ from the atmosphere for the purpose of carbon emission mitigation. Up to now, process design for this $CO_2$ marine geological storage has been carried out mainly on pure $CO_2$. Unfortunately the $CO_2$ mixture captured from the power plants and steel making plants contains many impurities such as $N_2$, $O_2$, Ar, $H_2O$, $SO_2$, $H_2S$. A small amount of impurities can change the thermodynamic properties and then significantly affect the compression, purification, transport and injection processes. In order to design a reliable $CO_2$ marine geological storage system, it is necessary to analyze the impact of these impurities on the whole CCS process at initial design stage. The purpose of the present paper is to compare and analyse the relevant physical property models including BWRS, PR, PRBM, RKS and SRK equations of state, and NRTL-RK model which are crucial numerical process simulation tools. To evaluate the predictive accuracy of the equation of the state for $CO_2-SO_2$ mixture, we compared numerical calculation results with reference experimental data. In addition, optimum binary parameter to consider the interaction of $CO_2$ and $SO_2$ molecules was suggested based on the mean absolute percent error. In conclusion, we suggest the most reliable physical property model with optimized binary parameter in designing the $CO_2-SO_2$ mixture marine geological storage process.

Applications of "High Definition Digital Climate Maps" in Restructuring of Korean Agriculture (한국농업의 구조조정과 전자기후도의 역할)

  • Yun, Jin-I.
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.9 no.1
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    • pp.1-16
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    • 2007
  • The use of information on natural resources is indispensable to most agricultural activities to avoid disasters, to improve input efficiency, and to increase lam income. Most information is prepared and managed at a spatial scale called the "Hydrologic Unit" (HU), which means watershed or small river basin, because virtually every environmental problem can be handled best within a single HU. South Korea consists of 840 such watersheds and, while other watershed-specific information is routinely managed by government organizations, there are none responsible for agricultural weather and climate. A joint research team of Kyung Hee University and the Agriculture, forestry and Fisheries Information Service has begun a 4-year project funded by the Ministry of Agriculture and forestry to establish a watershed-specific agricultural weather information service based on "high definition" digital climate maps (HD-DCMs) utilizing the state of the art geospatial climatological technology. For example, a daily minimum temperature model simulating the thermodynamic nature of cold air with the aid of raster GIS and microwave temperature profiling will quantify effects of cold air drainage on local temperature. By using these techniques and 30-year (1971-2000) synoptic observations, gridded climate data including temperature, solar irradiance, and precipitation will be prepared for each watershed at a 30m spacing. Together with the climatological normals, there will be 3-hourly near-real time meterological mapping using the Korea Meteorological Administration's digital forecasting products which are prepared at a 5 km by 5 km resolution. Resulting HD-DCM database and operational technology will be transferred to local governments, and they will be responsible for routine operations and applications in their region. This paper describes the project in detail and demonstrates some of the interim results.