• Title/Summary/Keyword: Thermodynamic function

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Optical Properties and Thermodynamic Function Properties of Undoped and Co-Doped $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ Single Crystals ($Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$$Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$:$Co^{2+}$ 단결정의 광학적 특성과 열역학 함수 추정)

  • Hyun, Seung-Cheol;Park, Hjung;Park, Kwang-Ho;Oh, Seok-Kyun;Kim, Hyung-Gon;Kim, Nam-Oh
    • The Transactions of the Korean Institute of Electrical Engineers C
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    • v.52 no.7
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    • pp.275-281
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    • 2003
  • $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$ and $Zn_{0.5}Cd_{0.5}Al_{2}Se_{4}$:$Co^{2+}$ single crystals were grown by CTR method. The grown single crystals have defect chalcopyrite structure with lattice constant a=5.5966$\AA$, c=10.8042$\AA$ for the pure, a=5.6543$\AA$, c=10.8205$\AA$ for the Co-doped single crystal, respectively. The optical energy band gap was given as indirect band gap. The optical energy band gap was decreased according to add of Co-impurity Temperature dependence of optical energy band gap was fitted well to the Varshni equation. From this relation, we can deduced the entropy, enthalpy and heat capacity. Also, we can observed the Co-impurity optical absorption peaks assigned to the $Co^{2+}$ ion sited at the $T_{d}$ symmetry lattice and we consider that they were attributed to the electron transitions between energy levels of ions.

Temperature dependence of optical energy gaps and thermodynamic function of $Zn_{4}SnSe_{6}$ and $Zn_{4}SnSe_{6}:Co^{2+}$ single crystals ($Zn_{4}SnSe_{6}$$Zn_{4}SnSe_{6}:Co^{2+}$ 단결정에서 광학적 에너지 띠 및 열역학적 함수의 온도의존성 연구)

  • Kim, D.T.;Kim, N.O.;Choi, Y.I.;Kim, B.C.;Kim, H.G.;Hyun, S.C.;Kim, B.I.;Song, C.I.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2002.08a
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    • pp.25-30
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    • 2002
  • The ternary semiconducting compounds of the $A_{4}BX_{6}$(A=Cd, Zn, Hg; B=Si, Sn, Ge; X=S, Se, Te) type exhibit strong fluorescence and high photosensitivity in the visible and near infrared ranges, so these are supposed to be materials applicable to photoelectrical devices. These materials were synthesized and single crystals were first grown by Nitsche, who identified the crystal structure of the single crystals. In this paper. author describe the undoped and $Co^{2+}$-doped $Zn_{4}SnSe_{6}$ single crystals were grown by the chemical transport reaction(CTR) method using iodine of $6mg/cm^{3}$ as a transport agent. For the crystal. growth, the temperature gradient of the CTR furnace was kep at $700^{\circ}C$ for the source aone and at $820^{\circ}C$ for the growth zone for 7-days. It was found from the analysis of x-ray diffraction that undoped and $Co^{2+}$-doped $Zn_{4}SnSe_{6}$ compounds have a monoclinic structure. The optical absorption spectra obtained near the fundamental absorption edge showed that these compounds have a direct energy gaps. These temperature dependence of the optical energy gap were closely investigated over the temperature range 10[K]~300[K]

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Study on Isotherm, Kinetic and Thermodynamic Parameters for Adsorption of Methyl Green Using Activated Carbon (활성탄을 이용한 메틸 그린 흡착에 있어서 등온선, 동력학 및 열역학 파라미터에 대한 연구)

  • Lee, Jong Jib
    • Applied Chemistry for Engineering
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    • v.30 no.2
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    • pp.190-197
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    • 2019
  • The adsorption of methyl green dye using an activated carbon from an aqueous solution was investigated. Adsorption experiments were carried out as a function of the adsorbent dose, initial concentration, contact time and temperature. The Langmuir isotherm model showed a good fit to the equilibrium adsorption data. Based on the estimated Langmuir separation factor, ($R_L=0.02{\sim}0.106$), this process could be employed as the effective treatment (0 < $R_L$ < 1). It was found that the adsorption was a physical process with the adsorption energy (E) value range between 316.869 and 340.049 J/mol obtained using Dubinin-Radushkevich equation. The isothermal saturation capacity obtained from brunauer emmett teller (BET) model increased with increasing the temperature. The kinetics of adsorption followed a pseudo second order model. The free energy and enthalphy values of -5.421~-7.889 and 31.915 kJ/mol, respectively indicated that the adsorption process follows spontaneous endothermic reaction. The isosteric heat of adsorption increased with the increase of equilibrium adsorption amounts, and the total interaction of the adsorbent - adsorbate increased as the surface coverage increased.

Solubilization of Cresol Isomers by the Cationic Surfactant of TTTAB in Aqueous Solution of n-Butanol and NaCl (n-부탄올 및 NaCl 수용액에서 양이온 계면활성제인 TTAB에 의한 크레졸 이성질체들의 가용화에 대한 연구)

  • Lee, Byung-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.38 no.3
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    • pp.832-839
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    • 2021
  • We tried to investigate the effects of substituent position, temperature, and additives such as NaCl and n-butanol on the solubilizations of cresol isomers by tetradecyltrimethylammonium bromide (TTAB), using the UV-Vis spectrophotometric method. The measured solubilization constants (Ks) values for each cresol isomer increased in the order o-cresolo and ∆Ho values for the solubilizations of cresols were all negative values but the ∆So values were all positive values within the measured ranges. The values of ∆Go increased also with increasing the concentration of n-butanol but decreased with increasing the concentration of NaCl. From these facts, we could conclude that both the enthalpy and entropy changes contribute together for the solubilizations of cresols isomers by cationic surfactant of TTAB and they are solubilized in the polar palisade region or at the surface of micelle.

A Study on Improvement γ-Reθt Model for Hypersonic Boundary Layer Analysis (극 초음속 경계층 해석을 위한 γ-Reθt모델 개선 연구)

  • Kang, Sunoh;Oh, Sejong;Park, Donghun
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.48 no.5
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    • pp.323-334
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    • 2020
  • Since boundary layer transition has a significant impact on the aero-thermodynamic performance of hypersonic flight vehicles, capability of accurate prediction of transition location is essential for design and performance analysis. In this study, γ-Reθt model is improved to predict transition of hypersonic boundary layers and validated. A coefficient in the production term of the intermittency transport equation that affects the transition onset location is constructed and applied as a function of Mach number, wall temperature, and freestream stagnation temperature based on the similarity numerical solution of compressible boundary layer. To take into account a Mach number dependency of transition onset momentum thickness Reynolds number and transition length, additional correlation equations are determined as function of Mach number and applied to Reθc and Flength correlations of the baseline model. The suggested model is implemented to a commercial CFD code in consideration of practical use. Analysis of hypersonic flat plate and circular cone boundary layers is carried out by using the model for validation purpose. An improvement of prediction capability with respect to variation of Mach number and unit Reynolds number is identified from the comparison with experimental data.

Adsorption Characteristics Analysis of 2,4-Dichlorophenol in Aqueous Solution with Activated Carbon Prepared from Waste Citrus Peel using Response Surface Modeling Approach (반응표면분석법을 이용한 폐감귤박 활성탄에 의한 수중의 2,4-Dichlorophenol 흡착특성 해석)

  • Lee, Chang-Han;Kam, Sang-Kyu;Lee, Min-Gyu
    • Korean Chemical Engineering Research
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    • v.55 no.5
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    • pp.723-730
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    • 2017
  • The batch experiments by response surface methodology (RSM) have been applied to investigate the influences of operating parameters such as temperature, initial concentration, contact time and adsorbent dosage on 2,4-dichlorophenol (2,4-DCP) adsorption with an activated carbon prepared from waste citrus peel (WCAC). Regression equation formulated for the 2,4-DCP adsorption was represented as a function of response variables. Adequacy of the model was tested by the correlation between experimental and predicted values of the response. A fairly high value of $R^2$ (0.9921) indicated that most of the data variation was explained by the regression model. The significance of independent variables and their interactions were tested by the analysis of variance (ANOVA) and t-test statistics. These results showed that the model used to fit response variables was significant and adequate to represent the relationship between the response and the independent variables. The kinetics and isotherm experiment data can be well described with the pseudo-second order model and the Langmuir isotherm model, respectively. The maximum adsorption capacity of 2,4-DCP on WCAC calculated from the Langmuir isotherm model was 345.49 mg/g. The rate controlling mechanism study revealed that film diffusion and intraparticle diffusion were simultaneously occurring during the adsorption process. The thermodynamic parameters indicated that the adsorption reaction of 2,4-DCP on WCAC was an endothermic and spontaneous process.

Surface Complexation Modeling of Cadmium Sorption onto Synthetic Goethite and Quartz (표면착물 모델을 이용한 합성 침철광과 석영의 카드뮴 흡착 모사)

  • Ok, Yong-Sik;Jung, Jin-ho;Lee, Ok-Min;Lim, Soo-kil;Kim, Jeong-Gyu
    • Korean Journal of Soil Science and Fertilizer
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    • v.36 no.4
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    • pp.210-217
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    • 2003
  • An alternative method to the empirical approach such as Langmuir and Freundlich model, surface complexation model using thermodynamic database is used to simulate adsorption behavior of cadmium for oxide minerals. Sorption of cadmium onto amorphous silica ($SiO_2$) and synthetic goethite (${\alpha}$-FeOOH) at various conditions of pH, initial cadmium loading, oxide concentration, and ionic strength, were investigated. For both oxide minerals, increasing cadmium concentration resulted in right shifting of the sorption curve of cadmium as the function of pH. The $pH_{50}$, where 50% of cadmium sorbed, of goethite (pH 5.25) was much smaller than that of the silica (pH 7.83). The sorption of cadmium onto both minerals were not affected by the background ion strength from $10^{-1}$ to $10^{-2}$ M of $KNO_3$. It indicated that the binding affinity of goethite surface for cadmium is much stronger than that of silica. The strong affinity of oxide mineral for cadmium can be explained by the existence of coordination or covalent bond between cadmium and surface of it.

Nitrate and Phosphate Adsorption Properties by Aminated Vinylbenzyl Chloride Grafted Polypropylene Fiber (아민형 PP-g-VBC의 NO3-N과 PO4-P 흡착특성)

  • Lee, Yong-Jae;Song, Jee-June;Na, Choon-Ki
    • Journal of Korean Society of Environmental Engineers
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    • v.38 no.10
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    • pp.543-550
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    • 2016
  • Amine-type PP-g-VBC-EDA adsorbent, which possesses anionic exchangeable function, was prepared through photoinduced graft polymerization of vinylbenzyl chloride (VBC) onto polypropylene non-woven fabric and subsequent amination reaction using ethylenediamine (EDA). Adsorption characteristics of anionic nutrients on the PP-g-VBC-EDA adsorbent have been studied by batch adsorption experiments. The equilibrium data well fitted the Langmuir isotherm model, and the maximum monolayer sorption capacity was found to be 59.9 mg/g for $NO_3-N$ and 111.4 mg/g for $PO_4-P$. The adsorption energies were higher than 8 kJ/mol indicating anion-exchange process as the primary adsorption mechanism. The pseudo-second order kinetic model described well the kinetic data and resulted in the activation energy of 9.8-36.7 kJ/mol suggesting that the overall rates of $NO_3-N$ and $PO_4-P$ adsorption are controlled by the chemical process. Thermodynamic parameters such as ${\Delta}G^o$, ${\Delta}H^o$ and ${\Delta}S^o$ indicated that the adsorption nature of PP-g-VBC-EDA for anionic nutrients is spontaneous and exothermic. The PP-g-VBC-EDA could be regenerated by washing with 0.1 N HCl.

Chemical Stability Evaluation of Ceramic Materials for Liquid Cadmium Cathode (액체카드뮴음금용 세라믹 소재의 화학적 안정성 평가)

  • Ku, Kwang-Mo;Ryu, Hong-Youl;Kim, Seung-Hyun;Kim, Dae-Young;Hwang, Il-Soon;Sim, Jun-Bo;Lee, Jong-Hyeon
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.11 no.1
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    • pp.23-29
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    • 2013
  • LCC (Liquid cadmium cathode) is used for electrowinning in pyroprocessing to recover uranium and transuranic elements simultaneously. It is one of the core technologies in pyroprocessing with higher proliferation resistance than a wet reprocessing because LCC-cell does not separate TRU from uranium. The crucible which holds the LCC is technically important because it should be nonconducting material to prevent deposition of metallic elements on the crucible outer surface. The chemical stability is also crucial factor to choose crucible material due to the strong reactivities of TRU and possible incorporation of Li metal during the operation. In this study, the chemical stabilities of four kinds of representative ceramic materials such as $Al_2O_3$, MgO, $Yl_2O_3$ and BeO were thermodynamically and experimentally evaluated at $500^{\circ}C$ with simulated LCC. The contact angle of LCC on ceramic materials was measured as function of time to predict chemical reactivity. $All_2O_3$ showed poorest chemical stability and the pores in BeO contributed to a decreases in contact angle. MgO and $Y_2O_3$ have superior chemical stability among the materials.

Estimation of Denitrification in the Ganghwa Tidal Flat by a Pore Water Model (공극수 모델로 추정한 강화도 갯벌의 탈질산화 작용)

  • Na, Tae-Hee;Lee, Tong-Sup
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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    • v.10 no.1
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    • pp.56-68
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    • 2005
  • We measured nitrate and other nutrients in sediment pore waters retrieved from three sites at the southern upper-tidal flats of the Ganghwa Island. Denitrification rate is estimated by applying a simple 1-D model to the nitrate profiles. Results from Jangwha and Dongmak sites are $7.8{\sim}9.4{\times}10^{-7}{\mu}mol{\cdot}cm^{-2}{\cdot}sec^{-1}$, and $1.4{\sim}3.6{\times}10^{-7}{\mu}mol{\cdot}cm^{-2}{\cdot}sec^{-1}$, respectively. Rates are comparable to those reported around the world in an order of magnitude. Denitrification was lower in summer. The rates were about 1.5 times higher at site where the surface sediments consist of relatively coarser particles. This implies that particle size would control the reactant supply to the subsurface sediment. One may claim the denitrification as an evidence of the biogeochemical purification function of tidal flat. However, the purification seems not a general attribute of a tidal flat when whole system is scrutinized by a thermodynamic criterion. Currently the term 'tidal flat' is used when describing the diverse coastal wetlands such as salt marshes, sandy tidal flats and muddy tidal flats, which exhibit quite different ecological functions. Thus it is worthy of mentioning that the classification of coastal wetlands on the basis of sedimentological characteristics and biogeochemical functions should facilitate our understanding.