• Title/Summary/Keyword: Thermodynamic approach

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Thermodynamics Consideration of Growth Mode of Silver Islands by Transition Metal Seeding (Nb seeding이 Ag 박막 성장모드에 미치는 영향에 대한 열역학적인 고찰)

  • Byon, Eung-Sun;Kim, Dong-Ho;Jeon, Sang-Jo
    • Journal of the Korean institute of surface engineering
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    • v.40 no.1
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    • pp.6-10
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    • 2007
  • For low-emissivity application on window glass, coalescence of thin film silver islands is crucial for high transmittance in the visible and high reflectance in the infrared. It is well known that the underlayer affects the growth mode. In this work, the effect of the underlayer on the growth of silver films deposited by filtered cathodic vacuum arc is discussed. While a nominal 0.1 nm niobium underlayer has promoted the coalescence of silver islands, a 0.2 nm layer did not show these features. From a thermodynamic approach, Nb seeding less one monolayer is considered to reduce the surface energy between the silver atoms and $Nb/TiO_2$ surface, resulting the change of its growth from 3D islands to 2D-layer modes. If the seed layer exceeds one monolayer, however, a rougher surface is formed because the surface energy of Nb itself is superior to that of $Nb-TiO_2$. The onset of silver layer on the roughened Nb surface is required more silver.

Performance Evaluation of an Oxy-coal-fired Power Generation System - Thermodynamic Evaluation of Power Cycle (순산소 석탄 연소 발전 시스템의 성능 평가 - 동력 사이클의 열역학적 해석)

  • Lee, Kwang-Jin;Choi, Sang-Min;Kim, Tae-Hyung;Seo, Sang-Il
    • Journal of the Korean Society of Combustion
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    • v.15 no.2
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    • pp.1-11
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    • 2010
  • Power generation systems based on the oxy-coal combustion with carbon dioxide capture and storage (CCS) capability are being proposed and discussed lately. Although a large number of lab scale studies for oxy-coal power plant have been made, studies of pilot scale or commercial scale power plant are not enough. Only a few demonstration projects for oxy-coal power plant are publicized recently. The proposed systems are evolving and various alternatives are to be comparatively evaluated. This paper presents a proposed approach for performance evaluation of a commercial 100 MWe class power plant, which is currently being considered for 'retrofitting' for the demonstration of the concept. The system is configurated based on design and operating conditions with proper assumptions. System components to be included in the discussion are listed. Evaluation criteria in terms of performance are summarized based on the system heat and mass balance and simple performance parameters, such as the fuel to power efficiency and brief introduction of the second law analysis. Also, gas composition is identified for additional analysis to impurities in the system including the purity of oxygen and unwanted gaseous components of nitrogen, argon and oxygen in air separation unit and $CO_2$ processing unit.

Modelling the Hydrogen-Bonding Interactions in a Copolymer/Biodegradable Homopolymer Blend through Excess Functions

  • Garcia-Lopera, Rosa;Monzo, Isidro S.;Campos, Agustin;Abad, Concepcion
    • Macromolecular Research
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    • v.16 no.5
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    • pp.446-456
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    • 2008
  • A recent theoretical approach based on the coupling of both the Flory-Huggins (FH) and the Association Equilibria thermodynamic (AET) theories was modified and adapted to study the miscibility properties of a multi-component system formed by two polymers (a proton-donor and a proton-acceptor) and a proton-acceptor solvent, named copolymer(A)/solvent(B)/polymer(C). Compatibility between polymers was mainly attained by hydrogen-bonding between the hydroxyl group on the phenol unit of the poly(styrene-co-vinyl phenol) (PSVPh) and the carbonyl group of the biodegradable and environmentally friendly poly(3-hydroxybutyrate) (PHB). However, the self-association of PSVPh and specific interactions between the PSVPh and the H-acceptor group (an ether oxygen atom) of the epichlorohydrin (ECH) solvent were also established in a lower extension, which competed with the polymer-polymer association. All the binary specific interactions and their dependence with the system composition as well as with the copolymer content were evaluated and quantified by means of two excess functions of the Gibbs tree energy, ${\Delta}g_{AB}$ and ${\Delta}g_{AC}$. Experimental results from fluorescence spectroscopy were consistent with the theoretical simulations derived with the model, which could also be applied and extended to predict the miscibility in solution of any polymer blend with specific interactions.

A Study on the Determination of Mixed Refrigerant for the Joule-Thomson Cryocooler (극저온 Joule-Thomson 냉동기용 혼합냉매 결정에 관한 연구)

  • 이경수;장기태;정상권
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.12 no.10
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    • pp.901-907
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    • 2000
  • The conceptual determination of mixed-refrigerant (MR) for a closed Joule-Thomson cryocooler is described in this paper. The thermodynamic cycle design was mainly considered to develop a cryocooler by using a compressor of domestic air-conditioning unit. The target cooling performance of the designed cryocooler is 10 W around 70 K with less than 5 kJ/kg enthalpy rise. The systematic approach of choosing a proper refrigerant among 20 different kinds of mixture for such cryogenic temperature was introduced in detail. The main components of the cryocooler are compressor, evaporator, oil separator, after-cooler, counterflow heat exchanger, and J-T expansion device. Due to the limitation of the compressor operation range, the temperature after the compression was limited below $117^{\circ}C$ (390 K) and the temperature before compression was restricted above $5^{\circ}C$ (278 K). 20 atm of discharging pressure (high pressure) and less than 3 atm suction pressure (low pressure) were the design conditions. The inlet temperature of a counterflow heat exchanger in the high Pressure side was about 300 K. The proper composition of the mixed refrigerant for the designed J-T cryocooler is 15% mol of$ N_2, 30% mol of $CH_4,\; 30% mol\; of C^2H^ 6,\; 10%\; mol\; of\; C_3H_8\; and \;15%\; mol\; of\; i-C_4H_10$.

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Monohydrated Sulfuric and Phosphoric Acids with Different Hydrogen Atom Orientations: DFT and Ab initio Study

  • Kolaski, Maciej;Cho, Seung-Joo
    • Bulletin of the Korean Chemical Society
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    • v.33 no.6
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    • pp.1998-2004
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    • 2012
  • We carried out DFT calculations for monohydrated sulfuric and phosphoric acids. We are interested in clusters which differ in orientation of hydrogen atoms only. Such molecular complexes are close in energy, since they lie in the vicinity of the global minimum energy structure on the flat potential energy surface. For monohydrated sulfuric acid we identified four different isomers. The monohydrated phosphoric acid forms five different conformers. These systems are difficult to study from the theoretical point of view, since binding energy differences in several cases are very small. For each structure, we calculated harmonic vibrational frequencies to be sure that if the optimized structures are at the local or global minima on the potential energy surface. The analysis of calculated -OH vibrational frequencies is useful in interpretation of infrared photodissociation spectroscopy experiments. We employed four different DFT functionals in our calculations. For each structure, we calculated binding energies, thermodynamic properties, and harmonic vibrational frequencies. Our analysis clearly shows that DFT approach is suitable for studying monohydrated inorganic acids with different hydrogen atom orientations. We carried out MP2 calculations with aug-cc-pVDZ basis set for both monohydrated acids. MP2 results serve as a benchmark for DFT calculations.

Micro-Gravity Research on the Atomization Mechanism of Near-Critical Mixing Surface Jet

  • Tsukiji, Hiroyuki;Umemura, Akira;Hisida, Manabu
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2004.03a
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    • pp.774-778
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    • 2004
  • The atomization process of a circular $SF_{6}$ liquid jet issued into an otherwise quiescent, high-pressure $N_2$ gas was observed to explore the breakup mechanism of liquid ligaments involved in turbulent atomization. Both liquid and gas temperatures were fixed at a room temperature but the gas pressure was elevated to more than twice the critical pressure of $SF_{6}$. Therefore, the liquid surface was in a thermodynamic state close to a critical mixing condition with suppressed vaporization. Since the surface tension and the surface gas density approach zero and the surface liquid density, respectively, phenomena equivalent to those which would appear when a very high speed laminar flow of water were injected into the atmospheric-pressure air can be observed by issuing $SF_{6}$ liquid at low speeds in micro-gravity environment which avoid disturbances due to gravity forces. The instability ob near-critical mixing surface jet was quantitatively characterized using a newly developed device, which could issue a very small amount of $SF_{6}$ liquid at small constant velocity into a very high-pressure $N_2$ gas.

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Power and Efficiency Optimization through Exergy Analysis of Power Plant (발전 플랜트의 엑서지 해석으로부터 발전량 및 발전효율 최적화)

  • Kim, Deok-Jin;Lee, Jae-Byoung;Kang, Su-Hwan
    • Plant Journal
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    • v.9 no.3
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    • pp.43-47
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    • 2013
  • Even if an expert who has majored energy engineering, it is a difficult concept to understand power output optimization and power efficiency optimization. In this study a diagram applying thermodynamic state value as specific exergy and exergy ratio was developed. Although general peoples who did not major energy engineering can be easily understand the concept of power output optimization and power efficiency through the developed diagram. A represented property that can identify the performance of power plant is the main steam temperature and pressure. At the developed diagram the maximum power output line and maximum power efficiency line are shown according to the temperature and pressure of main steam. Therefore we can identify how much a power plant approach to maximum power output and maximum power efficiency.

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Enhanced alizarin removal from aqueous solutions using zinc Oxide/Nickel Oxide nano-composite

  • Basma E. Jasim;Ali J. A. Al-Sarray;Rasha M. Dadoosh
    • Analytical Science and Technology
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    • v.37 no.1
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    • pp.39-46
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    • 2024
  • Alizarin dye, a persistent and hazardous contaminant in aquatic environments, presents a pressing environmental concern. In the quest for efficient removal methods, adsorption has emerged as a versatile and sustainable approach. This study focuses on the development and application of Zinc Oxide/Nickel Oxide (ZnO/NiO) nano-composites as adsorbents for alizarin dye removal. These semiconducting metal oxide nano-composites exhibit synergistic properties, offering enhanced adsorption capabilities. Key parameters affecting alizarin removal, such as contact time, adsorbent dosage, pH, and temperature, were systematically investigated. Notably, the ZnO/NiO nano-composite demonstrated superior performance, with a maximum alizarin removal percentage of 76.9 % at pH 6. The adsorption process followed a monolayer pattern, as suggested by the Langmuir model. The pseudo-second-order kinetics model provided a good fit to the experimental data. Thermodynamic analysis indicated that the process is endothermic and thermodynamically favorable. These findings underscore the potential of ZnO/NiO nano-composites as effective and sustainable adsorbents for alizarin dye removal, with promising applications in wastewater treatment and environmental remediation.

DEVELOPMENT OF 2ND GENERATION ICE ACCRETION ANALYSIS PROGRAM FOR HANDLING GENERAL 3-D GEOMETRIES (3차원 착빙 형상 예측을 위한 2세대 시뮬레이션 코드 개발)

  • Son, Chankyu;Oh, Sejong;Yee, Kwanjung
    • Journal of computational fluids engineering
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    • v.20 no.2
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    • pp.23-36
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    • 2015
  • The $2^{nd}$ generation ice accretion analysis program has been developed and validated for various icing conditions. The essential feature of the $2^{nd}$ generation code lies in its capability of handling general 3-D geometry and improved accuracy. The entire velocity fields are obtained based on Navier-Stokes equations in order to take the massively separated flow field into account. Unlike $1^{st}$ generation code, the droplet trajectories are calculated using Eulerian approach, which is adopted to yield appropriate collection efficiency even in the shadow region. For improved thermodynamic analysis on the surfaces, water film model and modified Messinger model are newly included in the present analysis. The ice shape for a given time step is obtained by considering the exact amount of ice accreted on the surface. Each module of the icing analysis code has been seamlessly integrated on the OpenFOAM platform. The developed code was validated against available experimental data for 2D airfoils and 3D DLR-F4. Due to the lack of experimental data, the computed results of DLR-F4 were compared with those obtained from FENSAP-ICE, which is state-of-the-art 3D icing analysis code. It was clearly shown that the present code produces comparable results to those of FENSAP-ICE, in terms of prediction accuracy and the capability of handling general 3-D geometries.

Using Support Vector Regression for Optimization of Black-box Objective Functions (서포트 벡터 회귀를 이용한 블랙-박스 함수의 최적화)

  • Kwak, Min-Jung;Yoon, Min
    • 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.