• Title/Summary/Keyword: Thermodynamic model

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Filled Skutterudites: from Single to Multiple Filling

  • Xi, Lili;Zhang, Wenqing;Chen, Lidong;Yang, Jihui
    • Journal of the Korean Ceramic Society
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    • v.47 no.1
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    • pp.54-60
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    • 2010
  • This paper shortly reviews our recent work on filled skutterudites, which are considered to be one of the most promising thermoelectric (TE) materials due to their excellent power factors and relatively low thermal conductivities. The filled skutterudite system also provides a platform for studying void filling physics/chemistry in compounds with intrinsic lattice voids. By using ab initio calculations and thermodynamic analysis, our group has made progresses in understanding the filling fraction limit (FFL) for single fillers in $CoSb_3$, and ultra-high FFLs in a few alkali-metal-filled $CoSb_3$ have been predicted and then been confirmed experimentally. FFLs in multiple-element-filled $CoSb_3$ are also investigated and anonymous filling behavior is found in a few specific systems. The calculated and measured FFLs, in both single and multiple-filled $CoSb_3$ systems, show good accordance so far. The thermal transport properties can be understood qualitatively by a phonon resonance scattering model, and it seems that a scaling rule may exist between the lattice thermal resistivity and the resonance frequency of filler atoms in filled system. Even though a few things become clear now, there are still many unsolved issues that call for further work.

Pressure Effect on the Aquation of trans-[Cr(tn)$_2Cl_2]^+$ and trans-[Cr(en)(tn)Cl$_2]^+$ Complex Ions (trans-[Cr(tn)$_2Cl_2]^+$ 및 trans-[Cr(en)(tn)Cl$_2]^+$ 착이온의 수화반응에 미치는 압력효과)

  • Jong-Jae Chung;Jong-Ha Choi;Deog-Jin Kim
    • Journal of the Korean Chemical Society
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    • v.31 no.5
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    • pp.375-381
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    • 1987
  • Rates for the aquation of trans-[Cr(tn)$_2Cl_2]^+$ and trans-[Cr(en)(tn)Cl$_2$]^+$ ions in aqueous acidic solution have been measured by spectrophotometric method at various temperatures and pressures. Activation volumes are negative and lie in the limited range -1.7 ∼ -2.9cm$^3$mol$^{-1}$ or the complex ions. Activation entropies and activation compressibility coefficients are small negative values. From the results of thermodynamic parameters, it can be inferred that the aquation of the complex ions proceed through an associative interchange(Ia) mechanism. Furthermore, the information on possible transition state structure and reaction paths can be obtained by considering total stabilization energy of the hypothetical intermediates within the framework of angular overlap model. It is found that the theoretically predicted mechanism is consistent with the experimentally observed results.

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Process Technology of the Direct Separation and Recovery of Iron and Zinc Metals Contained in High Temperature EAF Exhaust Gas

  • Furukawa, Takeshi;Sasamoto, Hirohiko;Isozaki, Shinichi;Tanno, Fumio
    • Proceedings of the IEEK Conference
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    • 2001.10a
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    • pp.393-397
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    • 2001
  • The innovatory process, that is the direct separation and recovery of the iron and zinc metals contained in the high temperature exhaust gas generated from the electric arc furnace fer the inn scrap melting and/or the dust treatment, has been proposed. This proposed process consists of the moving coke bed filter that is directly connected to the electric furnace, and the following heavy metal condenser. The exhaust gas passes through the filter and the condenser right after exhausting from the electric furnace. The moving coke bed filter is being controlled at about 1000℃ and collects iron and slag components contained in the high temperature exhaust gas. Heavy metals such as zinc and lead pass through the filter as vapor. Based on the thermodynamic considerations, the iron oxide and the zinc oxide are reduced in the filter. The solution loss reaction rate is comparatively low at about 1000℃ in the coke bed filter by the analysis using the mathematical simulation model. The heavy metal condenser is installed in the position after the coke bed filter, and rapidly cools the gas from about 1000℃ to 450℃ by a full of the cooling medium like the solid ceramic ball in addition to the cooling from the wall. The zinc and lead vapor condense and separate f개m the gas in a liquid state. The investigation of the characteristics of the exhaust gas of the commercial electric arc furnace, the fundamental experiments of the laboratory scale and the bench scale ensured the formation of this proposed process. A small-scale pilot plant examination is carrying out at present to confirm the formation of the process. It is certain that the dust generation of the electric arc furnace is extremely decreased, and it can save the energy consumption of usual dust treatment processes by the realization of this process.

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A Permeation Behavior for the Pervaporation of Aqueous Ethanol Solution (에탄올 수용액의 Pervaporation에서의 투과거동)

  • Bae, Seong-Youl;Lee, Han-Sun;Hwang, Seong-Min;Kim, Hee-Taik;Kumazawa, Hidehiro
    • Applied Chemistry for Engineering
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    • v.5 no.1
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    • pp.127-138
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    • 1994
  • In the process of pervaporation separation for aqueous ethanol solution through cellulose tai-acetate(CTA) membrane, the modelling on the solution-diffusion permeation mechanism was built up on the basis of sorption and permeation experimental results. Also its function type and parameter were examined. The composition of sorption equilibrium in three component system(Ethanol/Water/CTA) were compared with the calculated value by Flory-Huggins' equation using the pure component sorption data. In order to apply the thermodynamic equilibrium relationship between the membrane free composition in the membrane and the equilibrium composition in the liquid phase, the apparent activity this system, however, the results were not satisfied. Diffusion equations were expressed with the concentration gradient considering permeate alone, and a concentration-dependent diffusion coefficient which includes a parameter was used. And this model was fitted with the measured permeation rates. If the permeation rate and the amount of sorption of one component were much larger than those of the other, the bulk flow term could not be negligible. The flux and selectivity were increased with increasing temperature, and with decreasing downstream pressure.

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Adsorption Kinetic, Thermodynamic Parameter and Isosteric Heat for Adsorption of Crystal Violet by Activated Carbon (활성탄에 의한 Crystal Violet 흡착에 있어서 흡착동력학, 열역학 인자 및 등량흡착열)

  • Lee, Jong Jib
    • Applied Chemistry for Engineering
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    • v.28 no.2
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    • pp.206-213
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    • 2017
  • The adsorption of crystal violet dyes from aqueous solution using the granular activated carbon was investigated. Adsorption experiments were carried out as a function of the adsorbent dose, initial concentration, contact time and temperature. The adsorption characteristic of crystal violet followed Langmuir isotherm. Based on the estimated Langmuir separation factor ($R_L=0.02{\sim}0.106$), this process could be employed as an effective treatment (0 < $R_L$ < 1). The adsorption kinetics followed the pseudo second order model. The values of Gibbs free energy (-1.61~-11.66 kJ/mol) and positive enthalpy (147.209 kJ/mol) indicated that the adsorption process is a spontaneous and endothermic reaction. The isosteric heat of adsorption decreased with increasing of surface loading by the limited adsorbent-adsorbate interaction due to increased surface coverage.

Heat balance analysis for process heat and hydrogen generation in VHTR (공정열 및 수소생산을 위한 초고온가스로 열평형 분석)

  • Park, Soyoung;Heo, Gyunyoung;Yoo, YeonJae;Lee, SangIL
    • Journal of Energy Engineering
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    • v.25 no.4
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    • pp.85-92
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    • 2016
  • Since the power density of the VHTR(Very High Temperature Reactor) is lower, there is less possibility of core melt. VHTR has no risk of explosion caused by hydrogen generation when the loss of coolant accident occurs, which is another advantage. Along with safety benefit, it can be used as a process heat supplier near demand facilities because coolant temperature is very high enough to be used for industrial purpose. In this paper, we designed the primary system using VHTR and the secondary system providing electricity and process heat. Based on that 350 MW thermal reactor proposed by NGNP(Next Generation Nuclear Part), we developed conceptual model that the IHX(Intermediate Heat Exchanger) loop transports 300 MW thermal energy to the secondary system. In addition, we analyzed thermodynamic behavior and performed the efficiency analysis and optimization study depending on major parameters.

Changes in the Characteristics of Wintertime Climatology Simulation for METRI AGCM Using the Improved Radiation Parameterization (METRI AGCM의 복사 모수화 개선에 따른 겨울철 기후모의의 특징적 변화)

  • Lim, Han-Cheol;Byun, Young-Hwa;Park, Suhee;Kwon, Won-Tae
    • Atmosphere
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    • v.19 no.2
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    • pp.127-143
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    • 2009
  • This study investigates characteristics of wintertime simulation conducted by METRI AGCM utilizing new radiation parameterization scheme. New radiation scheme is based on the method of Chou et al., and is utilized in the METRI AGCM recently. In order to analyze characteristics of seasonal simulation in boreal winter, hindcast dataset from 1979 to 2005 is produced in two experiments - control run (CTRL) and new model's run (RADI). Also, changes in performance skill and predictability due to implementation of new radiation scheme are examined. In the wintertime simulation, the RADI experiment tends to reduce warm bias in the upper troposphere probably due to intensification of longwave radiative cooling over the whole troposphere. The radiative cooling effect is related to weakening of longitudinal temperature gradient, leading to weaker tropospheric jet in the upper troposphere. In addition, changes in vertical thermodynamic structure have an influence on reduction of tropical precipitation. Moreover, the RADI case is less sensitive to variation of tropical sea surface temperature than the CTRL case, even though the RADI case simulates the mean climate pattern well. It implies that the RADI run does not have significant improvement in seasonal prediction point of view.

Function approximation of steam table using the neural networks (신경회로망을 이용한 증기표의 함수근사)

  • Lee, Tae-Hwan;Park, Jin-Hyun
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.10 no.3
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    • pp.459-466
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    • 2006
  • Numerical values of thermodynamic properties such as temperature, pressure, dryness, volume, enthalpy and entropy are required in numerical analysis on evaluating the thermal performance. But the steam table itself cannot be used without modelling. From this point of view the neural network with function approximation characteristics can be an alternative. the multi-layer neural networks were made for saturated vapor region and superheated vapor region separately. For saturated vapor region the neural network consists of one input layer with 1 node, two hidden layers with 10 and 20 nodes each and one output layer with 7 nodes. For superheated vapor region it consists of one input layer with 2 nodes, two hidden layers with 15 and 25 nodes each and one output layer with 3 nodes. The proposed model gives very successful results with ${\pm}0.005%$ of percentage error for temperature, enthalpy and entropy and ${\pm}0.025%$ for pressure and specific volume. From these successful results, it is confirmed that the neural networks could be powerful method in function approximation of the steam table.

Comparison of the neural networks with spline interpolation in modelling superheated water (물의 과열증기 모델링에 대한 신경회로망과 스플라인법 비교)

  • Lee, Tae-Hwan;Park, Jin-Hyun;Kim, Bong-Hwan
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2007.10a
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    • pp.246-249
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    • 2007
  • In numerical analysis for phase change material, numerical values of thermodynamic properties such as temperature, pressure, specific volume, enthalpy and entropy are required. But the steam table or diagram itself cannot be used without modelling. In this study applicability of neural networks in modelling superheated vapor region of water was examined by comparing with the quadratic spline. neural network consists of an input layer with 2 nodes, two hidden layers and an output layer with 3 nodes. Quadratic spline interpoation method was also applied for comparison. Neural network model revealed smaller percentage error to quadratic spline interpolation. From these results, it is confirmed that the neural networks could be powerful method in modelling the superheated range of the steam table.

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Measurements and Correlations of Isobaric Vapor-Liquid Equilibrium for Glycerol-Water Systems (Glycerol-물 계에 대한 등압 기액평형의 측정과 상관관계)

  • Rho, Seon-Gyun;Kang, Choon-Hyoung
    • Applied Chemistry for Engineering
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    • v.8 no.6
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    • pp.893-900
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    • 1997
  • In this study, vapor-liquid equilibria of a binary system, which consists of glycerol and water, are measured using a vaporrecirculating modified Othmer still at various subatmospheric pressures. The constituent components of the binary system considered in this study exhibit a large difference in the boiling temperatures. Since it is generally observed that the properties of a mixture greatly differ from those of the pure components, the phase equilibrium characteristics of a mixture can not be predicted from the properties of the pure components. Furthermore, an abrupt increase in the boiling temperature occurs as the concentration of the higher boiling component exceeds a certain value. Therefore, it is essential to acquire realistic phase equilibrium data of the mixture for industrial applications. Using the UNIQUAC model, the experimental vapor-liquid equilibrium data are correlated with good accuracy. The thermodynamic consistency test is also performed to ensure soundness of the data.

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