• Title/Summary/Keyword: thermodynamic model

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Adsorption Characteristics of Dimetridazole Antibiotics on Activated Carbon Prepared from Agricultural Waste Citrus Peel (폐감귤박 활성탄을 이용한 항생제 Dimetridazole의 흡착특성)

  • Lee, Chang-Han;Kam, Sang-Kyu;Lee, Min-Gyu
    • Korean Chemical Engineering Research
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    • v.55 no.6
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    • pp.798-806
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    • 2017
  • A activated carbon (WCAC, waste citrus activated carbon) prepared from an agricultural waste citrus peel material generated in Jeju was utilized for the removal of dimetridazole (DMZ) antibiotics in aqueous solution. The adsorption of DMZ on WCAC was investigated with the change of various parameters such as contact time, dosage of WCAC, particle size of WCAC, temperature, pH, and DMZ concentration. The DMZ adsorption capacity increased with increasing temperature and decreasing particle size. Also it was decreased at less than pH 4 but sustained almost constantly at pH 4 or greater. Isotherm parameters were determined from the Langmuir, Freundlich, Redlich-Peterson and Duinin-Radushkevich (D-R) isotherm models. The isotherm data were best described by the Redlich-Peterson isotherm model. And the adsorption kinetics can be successfully fitted to the pseudo-second-order kinetic model. The results of the intra-particle diffusion model suggested that film diffusion and intra-particle diffusion were occurred simultaneously during the adsorption process. Meanwhile, the thermodynamic parameters indicated that the adsorption reaction of DMZ on WCAC was an endothermic and spontaneous process. The experimental results showed that WCAC is a promising and cheap adsorbent for the removal of DMZ antibiotics.

A Study on High-resolution Numerical Simulation with Detailed Classification of Landuse and Anthropogenic Heat in Seoul Metropolitan area (수도권지역의 지표이용도 및 인공열 상세적용에 따른 고해상도 수치실험 연구)

  • Lee, Hankyung;Jee, Joon-Bum;Min, Jae-Sik
    • Korean Journal of Agricultural and Forest Meteorology
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    • v.19 no.4
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    • pp.232-245
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    • 2017
  • In this study, the high-resolution numerical simulation results considering landuse characteristics are analyzed by using single layer Urban Canopy Model (UCM) in Weather Research Forecast (WRF). For this, the impact of urban parameters such as roughness length and anthropogenic heat in UCM is analyzed. These values are adjusted to Seoul metropolitan area in Korea. The results of assessment are verified against observation from surface and flux tower. Forecast system equipped with UCM shows an overall improvement in the simulations of meteorological parameters, especially temperature at 2 m, surface sensible and latent heat flux. Major contribution of UCM is appreciably found in urban area rather than non-urban. The non-urban area is indirectly affected. In simulated latent heat flux, applying UCM is possible to simulate the change similarly with observations on urban area. Anthropogenic heat employed in UCM shows the most realistic results in terms of temperature and surface heat flux, indicating thermodynamic treatment of UCM could enhance the skills of high resolution forecast model in urban and non-urban area.

Characteristics of Equilibrium, Kinetics, and Thermodynamics for Adsorption of Acid Black 1 Dye by Coal-based Activated Carbon (석탄계 활성탄에 의한 Acid Black 1 염료의 흡착에 있어서 평형, 동력학, 및 열역학적 특성)

  • Lee, Jong-Jib
    • Clean Technology
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    • v.27 no.3
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    • pp.261-268
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    • 2021
  • Equilibrium, kinetics, and thermodynamics of adsorption of acid black 1 (AB1) by coal-based granular activated carbon (CGAC) were investigated with the adsorption variables of initial concentration of dye, contact time, temperature, and pH. The adsorption reaction of AB1 by activated carbon was caused by electrostatic attraction between the surface (H+) of activated carbon and the sulfite ions (SO3-) and nitrite ions (NO2-) possessed by AB1, and the degree of reaction was highest at pH 3 (97.7%). The isothermal data of AB1 were best fitted with Freundlich isotherm model. From the calculated separation factor (1/n) of Freundlich, it was confirmed that adsorption of AB1 by activated carbon could be very effective. The heat of adsorption in the Temkin model suggested a physical adsorption process (< 20 J mol-1). The kinetic experiment favored the pseudo second order model, and the equilibrium adsorption amount estimated from the model agreed to that given by the experiments (error < 9.73% ). Intraparticle diffusion was a rate controlling step in this adsorption process. From the activation energy and enthalpy change, it was confirmed that the adsorption reaction is an endothermic reaction proceeding with physical adsorption. The entropy change was positive because of an active reaction at the solid-liquid interface during adsorption of AB1 on the activated carbon surface. The free energy change indicated that the spontaneity of the adsorption reaction increased as the temperature increased.

Thermodynamics of Hydrogen-Induced Phase Separation on Pd-Co Alloys (수소유기에 따른 Pd-Co합금들의 상 분리 현상에 대한 열역학적 고찰)

  • Song, D.M.;Park, C.N.;Choi, J.
    • Transactions of the Korean hydrogen and new energy society
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    • v.16 no.3
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    • pp.244-252
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    • 2005
  • It is very interesting and important in the academic point of view and in practical use the hydrogen-induced phase separation(HIPS) which appears during hydrogen heat treatment. Since hydrogen can be removed very fast by pumping it out the hydrogen-induced new lattice phase which can not be obtained without hydrogen can be preserved as meta-stable state. In this study it has been investigated whether the HIPS appear in Pd-Al, Pd-Co, Pd-Cr, Pd-Ti, Pd-V and Pd-Zr alloys and discussed thermodynamic representation of the HIPS. The Pd alloys were arc-melted under argon atmosphere and remelted 4 or 5 times for homogenization. The alloys were annealed at 600$^{\circ}C$ under vacuum for 24 hrs and then subjected to pressure-composition isotherm measurements at 100$^{\circ}C$. The hydrogen heat treatment(HHT) of samples was carried out at 600$^{\circ}C$ under hydrogen pressure of 70 bar for 6 days and PC isotherms at 100$^{\circ}C$ were measured. By comparing the PC isotherms measured before and after HHT, occurrence of phase separation was determined. The experimental results showed that the HIPS appeared only in Pd-0.05Co alloy. For Pd-Co alloys with various composition the PC isotherms were measured. By adopting Park-Flanagan model for ternary thermodynamics the Gibbs free energy change for Pd-Co-H solid solution was calculated and subsequently with this the HIPS in Pd-Co alloy was explained fairly.

Effects of Butanol Isomers on the Mixed Micellization of TTAB/Brij 35 Mixed Surfactant Systems (TTAB/Brij 35 혼합계면활성제의 미셀화에 미치는 부탄올 이성질체들의 효과)

  • Gil, Han-Nae;Lee, Byung-Hwan
    • Journal of the Korean Chemical Society
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    • v.52 no.2
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    • pp.111-117
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    • 2008
  • critical micelle concentration (CMC) and the counter ion binding constant (B) in a mixed micellar state of the trimethyltetradecylammonium bromide (TTAB) with the polyoxyethylene (23) lauryl ether (Brij 35) at 25oC in water and in aqueous solutions of butanol isomers were determined as a function of 1 (the overall mole fraction of TTAB) by the use of electric conductivity method and surface tensiometer method. Various thermodynamic parameters (Xi, i, Ci, aiM, and Hmix) were calculated by means of the equations derived from the nonideal mixed micellar model. The results say that the effects of butanol isomers on the micellization of TTAB/Brij 35 mixtures have been in the order of n-butanol>iso-butanol>t-butanol> water.

Aqueous U(VI) removal by green rust and vivianite at phosphate-rich environment

  • Sihn, Youngho;Yoon, In-Ho
    • Membrane and Water Treatment
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    • v.11 no.3
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    • pp.207-215
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    • 2020
  • Vivianite (Fe32+(PO4)2·8H2O) and green rust ([Fe42+Fe23+(OH)-12][SO42-·2H2O]2-), ferrous containing minerals, could remove aqueous U(VI) in 5 min. and the efficiencies of green rust were roughly 2 times higher than that of vivianite. The zeta potential measurement results implies that the better performance of green rust might be attributed to the favorable surface charge toward uranyl phosphate species. The removal behaviors of the minerals were well fitted by pseudo-second order kinetic model (R2 > 0.990) indicating the dominant removal process was chemical adsorption. Effects of Ca2+ and CO32- at pH 7 were examined in terms of removal kinetic and capacity. The kinetic constants of aqueous U(VI) were 8 and 13 times lower (0.492 × 10-3 g/(mg·min); 0.305 × 10-3 g/(mg·min)) compared to the value in the absence of the ions. The thermodynamic equilibrium calculation showed that the stable uranyl species (uranyl tri-carbonate) were newly formed at the condition. Surface investigation on the reacted mineral with uranyl phosphates species were carried out by XPS. Ferrous iron and U(VI) on the green rust surface were completely oxidized and reduced into Fe(III) and U(IV) after 7 d. It suggests that the ferrous minerals can retard U(VI) migration in phosphate-rich groundwater through the adsorption and subsequent reduction processes.

A Feasibility Study on the Mixed Refrigerant Composition in the Rankine Cycle Empowered by Cold Energy (냉열을 이용한 랭킨 사이클 방식의 발전시스템에서 혼합냉매유체 조성비의 적용한계 분석)

  • Jeong, Moon;Cho, Eunbi;Hwang, Inju;Kang, Choonhyoung
    • The KSFM Journal of Fluid Machinery
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    • v.19 no.3
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    • pp.14-18
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    • 2016
  • The power generation system using cold energy, which evolves in a large amount during the vaporization process of the liquefied natural gas, was designed in favor of the Rankine cycle with a mixed refrigerant as the working fluid. In this study it is intended to identify the allowable limits of the working fluid composition in respect of equipment safety in the Rankine cycle-type power generation system driven by the cold energy. The thermodynamic properties of the working fluid, which is a hydrocarbon mixture, were calculated with the Peng-Robinson model. In the steady state simulation of the power generation system by using a commercial tool Aspen HYSYS, the feed conditions of LNG Test Bed Train No.1 along with some necessary assumptions were incorporated. The results indicated that deterioration of the mechanical performance of the equipment as well as its safety would be brought about if contents of $C_2H_6$ and $C_3H_8$ in the mixture become, respectively, too high or too low.

Estimation of Uncertainty in Critical Flow Function for Natural Gas (천연가스의 임계유동함수 불확도 평가)

  • Ha, Young-Cheol
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.38 no.7
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    • pp.625-638
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    • 2014
  • In this study, the uncertainties in the critical flow functions (CFFs) calculated by the AGA8-dc equation of state were estimated. To this end, the formulas for enthalpy, entropy, and speed of sound, which are used in calculating the CFF, were expressed in the form of dimensionless Helmholtz free energy and its derivatives, and the uncertainty in Helmholtz free energy was inferred. To consider the variations in the compressibility-dependent variables induced by the variation (i.e., uncertainty) in compressibility, the form of the AGA8-dc equation was modified to have a deviation equal to the uncertainty under each flow condition. For each independent uncertainty component of the CFF, a model for uncertainty contribution was developed. All these changes were applied to GASSOLVER, which is KOGAS's thermodynamic database. As a result, the uncertainties in the CFF were estimated to be 0.025, 0.055, and 0.112 % at 10, 50, and 100 bar, respectively, and are seen to increase with the increase in pressure. Furthermore, these results could explain the deviations in the CFFs across the different labs in which the CFF international comparison test was conducted under the ISO management in 1999.

Condensation and coagulation of metallic species with fly ash particles in a waste incinerator (폐기물 소각시 생성되는 유해 중금속물질과 연소실내 비산재와의 응축, 응집 현상에 대한 연구)

  • Yu, Ju-Hyeon;Hwang, Jeong-Ho
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.21 no.2
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    • pp.264-274
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    • 1997
  • A numerical analysis on condensation and coagulation of the metallic species with fly ash particles pre-existing in an incinerator was performed. Waste was simplified as a mixture of methane, chlorine, and small amounts of Pb and Sn. Vapor-phase amounts of Pb- and Sn -compounds were first calculated assuming a thermodynamic equilibrium state. Then theories on vapor-to-particle conversion, vapor condensation onto the fly ash particles, and particle-particle interaction were examined and incorporated into equations of aerosol dynamics and vapor continuity. It was assumed that the particles followed a log-normal size distribution and thus a moment model was developed in order to predict the particle concentration and the particle size distribution simultaneously. Distributions of metallic vapor concentration (or vapor pressure) were also obtained. Temperature drop rate of combustion gas, fly ash concentration and its size were selected as parameters influencing the discharged amount of metallic species. In general, the coagulation between the newly formed metal particles and the fly ash particles was much greater than that between the metal particles themselves or between the fly ash particles themselves. It was also found that the amount of metallic species discharged into the atmosphere was increased due to coagulation. While most of PbO vapors produced from the combustion were eliminated due to combined effect of condensation and coagulation, the highly volatile species, PbCl$_{2}$ and SnCl$_{4}$ vapors tended to discharge into the atmosphere without experiencing either the condensation or the coagulation. For Sn vapors the tendency was between that of PbO vapors and that of PbCl$_{2}$ or SnCl$_{4}$. To restrain the discharged amount of hazardous metallic species, the coagulation should be restrained, the number concentration and the size of pre-existing fly ash particles should be increased, and the temperature drop rate of combustion gas should be kept low.

Sorption of $UO^{2+}_2$ onto Goethite and Kaolinite: Mechanistic Modeling Approach

  • Jinho Jung;Lee, Jae-Kwang;Cho, Young-Hwan;Keum, Dong-Kwon;Hahn, Pil-Soo
    • Nuclear Engineering and Technology
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    • v.31 no.2
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    • pp.182-191
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    • 1999
  • The sorption of UO$_{2}$$^{2+}$ onto goethite and kaolinite under various experimental conditions was successfully interpreted using surface complexation modeling (SCM). The SCM approach used in this work is the triple-layer model (TLM) in which weakly bonded ions are modeled as outer-sphere (ion-pair) complexes and strongly bonded ions as inner-sphere (surface coordination) complexes. The change of ionic strength did not affect the U(VI) sorption onto goethite, thus the formation of inner-sphere surface complexes, (FeO)$_2$UO$_2$ and (FeO)$_2$(UO$_2$)$_3$OH$_{5}$ was assumed to simulate the effects of ionic strength and goethite concentration. On the other hand, the U(VI) sorption onto kaolinite showed ionic strength dependence, thus the formation of AlO-UO$_{2}$$^{2+}$(outer-sphere complex) and SiO(UO$_2$)$_3$OH$_{5}$ (inner-sphere complex) was assumed to simulate the experimental data. In the presence of carbonates, the sorption of U(VI) onto kaolinite decreased in the weakly alkaline pH range. This was well simulated assuming the formation of a outer-sphere surface complex, A1OH$^{2+}$- (UO$_2$)$_2$CO$_3$OH$_3$. Since SCM approach uses thermodynamic data such as surface complexation constants, it is more predictive than empirical modeling approach in which conditional values such as partition coefficient are used. used.

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