• Title/Summary/Keyword: 열역학함수

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Temperature dependence of thermodynamic function in Zn4SnSe6 and Zn4SnSe6:Co2+(0.5mol%) single crystals (Zn2SnSe6 및 Zn4SnSe6:Co2+(0.5mol%) 단결정에서 열역학적 함수의 온도의존성)

  • Kim, Nam-Oh;Kim, Hyung-Gon;Kim, Duck-Tea;Sung, Heo-Jun
    • The Transactions of the Korean Institute of Electrical Engineers P
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    • v.52 no.2
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    • pp.68-73
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    • 2003
  • $Zn_4SnSe_6$ and $Zn_4SnSe_6:Co^{2+}$ single crystals were grown by the chemical transport reaction(CTR) method. They were crystallized in the monoclinic structure. These temperature dependence of the optical energy gap were closely investigated over the temperature range 10[K]~300[K]. The direct energy gaps of $Zn_4SnSe_6$ and $Zn_4SnSe_6$:$Co^{2+}$ single crystals were given by 2.146[eV] and 2.042[eV] at 300[K]. The temperature dependence of the optical energy gap is well presented by the Varshni equation.

Performance Evaluation of Loss Functions and Composition Methods of Log-scale Train Data for Supervised Learning of Neural Network (신경 망의 지도 학습을 위한 로그 간격의 학습 자료 구성 방식과 손실 함수의 성능 평가)

  • Donggyu Song;Seheon Ko;Hyomin Lee
    • Korean Chemical Engineering Research
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    • v.61 no.3
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    • pp.388-393
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    • 2023
  • The analysis of engineering data using neural network based on supervised learning has been utilized in various engineering fields such as optimization of chemical engineering process, concentration prediction of particulate matter pollution, prediction of thermodynamic phase equilibria, and prediction of physical properties for transport phenomena system. The supervised learning requires training data, and the performance of the supervised learning is affected by the composition and the configurations of the given training data. Among the frequently observed engineering data, the data is given in log-scale such as length of DNA, concentration of analytes, etc. In this study, for widely distributed log-scaled training data of virtual 100×100 images, available loss functions were quantitatively evaluated in terms of (i) confusion matrix, (ii) maximum relative error and (iii) mean relative error. As a result, the loss functions of mean-absolute-percentage-error and mean-squared-logarithmic-error were the optimal functions for the log-scaled training data. Furthermore, we figured out that uniformly selected training data lead to the best prediction performance. The optimal loss functions and method for how to compose training data studied in this work would be applied to engineering problems such as evaluating DNA length, analyzing biomolecules, predicting concentration of colloidal suspension.

Thermodynamics on the Micellization of Pure Cationic(DTAB, TTAB, CTAB), Nonionic(Tween-20, Tween-40, Tween-80), and Their Mixed Surfactant Systems (순수 양이온성(DTAB, TTAB, CTAB), 비이온성(Tween-20, Tween-40, Tween-80) 및 이들 혼합 계면활성제의 미셀화에 대한 열역학적 연구)

  • Lee, Nam-Min;Lee, Byung-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.30 no.4
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    • pp.679-687
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    • 2013
  • The critical micelle concentration (CMC) and counter-ion binding constant (B) of the pure cationic surfactants (DTAB, TTAB, CTAB), nonionic surfactants (Tween-20, Tween-40, Tween-80), and their mixed surfactants (TTAB/Tween-20, TTAB/Tween-40, TTAB/Tween-80) in aqueous solutions of 4-chlorobenzoic acid were determined by using the UV/Vis absorbance method and the conductivity method from 284 K to 312 K. Thermodynamic parameters (${\Delta}G^o{_m}$, ${\Delta}H^o{_m}$, and ${\Delta}S^o{_m}$), associated with the micelle formation of those surfactant systems, have been estimated from the dependence of CMC and B values on the temperature and carbon length of surfactant molecules. The calculated values of ${\Delta}G^o{_m}$ are all negative within the measured range but the values of ${\Delta}H^o{_m}$ and ${\Delta}S^o{_m}$ are positive or negative, depending on the length of the carbon chain and surfactant.

Effect of NaCl, n-Butanol, and Temperature on the Micellization of Ammonium Cationic Surfactants (DTAB, TTAB, and CTAB) in Aniline Solution (아닐린 수용액에서 암모늄형 양이온성계면활성제 (DTAB, TTAB, 및 CTAB)의 미셀화에 미치는 염, n-부탄올 및 온도의 효과)

  • Lee, Dong-Cheol;Lee, Byung-Hwan
    • Journal of the Korean Applied Science and Technology
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    • v.36 no.2
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    • pp.407-416
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    • 2019
  • The criticical micelle concentration (CMC) was measured by using the UV-Vis method for the micellization of the ammonium type cationic surfactants (DTAB, TTAB, and CTAB) in the aqueous aniline solution. The enthalpy change (${\Delta}H^0$) and entropy change (${\Delta}S^0$) were calculated from the dependence of Gibbs free energy change (${\Delta}G^0$) on the temperature for micellization of the cationic surfactants between 290K and 314K. The effects of n-butanol and sodium chloride on the micellization of cationic surfactants were measured and compared with the other thermodynamic functions. All the free energy changes (${\Delta}G^0$) of the micellization were negative, all the enthalpy change (${\Delta}H^0$) were negative, and all the entropy change (${\Delta}S^0$) were positive values, respectively. The micelle formation of cationic surfactant in aniline solution is a spontaneous exothermic reaction, and the iso-structural temperature calculated from the thermodynamic values show that enthalpy and entropy contribution to the micellization are almost the same for the micellization of cationic surfactants

Characteristics of Equilibrium, Kinetic and Thermodynamic for Adsorption of Acid Blue 40 by Activated Carbon (활성탄에 의한 Acid Blue 40 흡착에 있어서 평형, 동력학 및 열역학적 특성)

  • Lee, Jong Jib
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.12
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    • pp.592-599
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    • 2018
  • The kinetics and thermodynamics of the adsorption of acid blue 40 from an aqueous solution by activated carbon were examined as a function of the activated carbon dose, pH, temperature, contact time, and initial concentration. The adsorption efficiency in a bathtub was increased at pH 3 and pH 11 due to the presence of sufonate ions ($SO_3{^-}$) and amine ions ($NH_2{^+}$). The equilibrium adsorption data were fitted to the Langmuir, Freundlich and Temkin isotherms. The results indicated that the Langmuir model provides the best correlation of the experimental data. The separation factor of the Langmuir and Freundlich model showed that the adsorption treatment of acid blue 40 by activated carbon could be an effective adsorption process. The adsorption energy determined by the Temkin equation showed that the adsorption step is a physical adsorption process. Kinetics analysis of the adsorption process of acid blue 40 on activated carbon showed that a pseudo second order kinetic model is more consistent than a pseudo second order kinetic model. The estimated activation energy was 42.308 kJ/mol. The enthalpy change (80.088 J/mol) indicated an endothermic process. The free energy change (-0.0553 ~ -5.5855 kJ/mol) showed that the spontaneity of the process increased with increasing adsorption temperature.

Comparative Study on the Micellization of SDS/Brij 30, DBS/Brij 30, and SDS/DBS Mixed Surfactant Systems in Pure Water (순수 물에서 SDS/Brij 30, DBS/Brij 30 및 SDS/DBS 혼합계면활성제의 미셀화에 대한 비교연구)

  • Lee, Byung-Hwan;Park, In-Jung
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.379-384
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    • 2011
  • The critical micelle concentration (CMC) and the counter ion binding constant (B) for the mixed micellizations of DBS (sodium dodecylbenzenesulfonate), SDS (sodium dodecylsulfate), and Brij 30 (polyoxyethylene(4) lauryl ether) at $25^{\circ}C$ in pure water were determined by the use of electric conductivity and surface tension measuring methods. Various thermodynamic parameters ($X_i,\;{\gamma}i,\;C_i,\;a_i^M,\;{\beta}$, and ${\Delta}H_{mix}$) were calculated and compared with each other mixed surfactant system by means of the equations derived from the nonideal mixed micellar model. The results show that the SDS molecule interacts more strongly with Brij 30 molecule than DBS molecule and that the SDS/Brij 30 mixed surfactant system has the greatest negative deviation from the ideal mixed micellar model and the SDS/DBS mixed system has followed almost the ideal mixed micellar model.

Mixed Micellar Properties of Cetylpyridinium Chloride(CPC) with Triton X-100(TX-100) in Aqueous Solutions of n-Alcohols (n-알코올 수용액에서 Cetylpyridinium Chloride(CPC)와 Triton X-100(TX-100)의 혼합미셀화에 대한 연구)

  • Chung, Jong Jae;Kim, Yung Cheol;Lee, Yung Cheol
    • Journal of the Korean Chemical Society
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    • v.41 no.6
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    • pp.284-291
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    • 1997
  • The critical micelle concentrations($CMC^*$) of a cationic surfactant cetylpyridinium chloride (CPC) and a nonionic surfactant triton X-100(TX-100) in aqueous solutions of n-alcohols(methanol, ethanol, 1-propanol, 1-butanol and 1-pentanol) were determined by UV spectroscopic method at 25$^{\circ}C$. The various thermodynamic values in 0.1 M n-alcohols were calculated by means of the equation derived from the pseudo-phase separation model and compared with the values in the absence of n-alcohols. The results were a good agreement with the nonideal mixed micelle model, and they showed negative deviation from the ideal behavior.

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Effects of Surfactant Molecules’ Head- and Tail-groups on the Solubilization of p-Chlorobenzoic Acid (p-클로로벤조산의 가용화에서 계면활성제분자의 머리-그룹과 꼬리-그룹이 미치는 효과)

  • Lee, Byung-Hwan;Lee, Nam-Min
    • Journal of the Korean Chemical Society
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    • v.59 no.5
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    • pp.379-386
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    • 2015
  • The solubilization of p-chlorobenzoic acid in aqueous solutions of pure cationic, nonionic, amphoteric, and their mixed surfactant systems have been measured by the UV-Vis spectrophotometric method. The effects of hydrophobic tail-group with different chain length and the hydrophilic head-group on the solubilization of p-chlorobenzoic acid have been studied and also thermodynamic parameters have been calculated from the dependence of Ks values on the temperature. The results show that the values of ΔGo for the solubilization by all surfactant systems are negative and the values of ΔHo and ΔSo are all positive.

Thermodynamic Issues of Lead-Free Soldering in Electronic Packaging (전자 패키징에 사용되는 무연 솔더에 관한 열역학적 연구)

  • 정상원;김종훈;김현득;이혁모
    • Journal of the Microelectronics and Packaging Society
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    • v.10 no.3
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    • pp.37-42
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    • 2003
  • In soldering of electronic packaging, the research on substituting lead-free solder materials for Pb-Sn alloys has become active due to environmental and health concerns over the use of lead. The reliability of the solder joint is very important in the development of solder materials and it is known that it is related to wettability of the solder over the substrate and microstructural evolution during soldering. It is also highly affected by type and extent of the interfacial reaction between solder and substrate and therefore, it is necessary to understand the interfacial reaction between solder and substrate completely. In order to predict the intermetallic compound (IMC) phase which forms first at the substrate/solder interface during the soldering process, a thermodynamic methodology has been suggested. The activation energy for the nucleation of each IMC phases is represented by a function of the interfacial energy and the driving force for phase formation. From this, it is predicted that the IMC phase with the smallest activation energy forms first. The grain morphology of the IMC at the solder joint is also explained by the calculations which use the energy. The Jackson parameter of the IMC grain with a rough surface is smaller than 2 but it is larger than 2 in the case of faceted grains.

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Effects of NaCl and n-Butanol on the Solubilization of 4-Halogenated Phenols in Aqueous Solution of TTAB (TTAB 수용액에서 4-할로겐화 페놀유도체의 가용화에 미치는 NaCl과 n-부탄올의 효과)

  • Lee, Byung-Hwan
    • Journal of the Korean Chemical Society
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    • v.58 no.6
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    • pp.517-523
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    • 2014
  • The micellization of TTAB(tetradecyltrimethylammonium bromide) and the solubilization of 4-halogenated phenol isomers in aqueous solution of that surfactant in water have been studied by the UV-Vis spectrophotometric method. Those properties in aqueous solutions of NaCl and n-butanol have been also measured to determine the interactions between the micelle and 4-halogenated phenols and the solubilized sites of those molecules in the micelle. The results show that the values of ${\Delta}G^o_m$ and ${\Delta}G^o_s$ are all negative and the trends of those values depend on both the kinds and the concentrations of additives. Namely, by adding NaCl both ${\Delta}G^o_m$ and ${\Delta}G^o_s$ values are all decreasing, but by adding n-butanol the ${\Delta}G^o_m$ value decreases and the ${\Delta}G^o_s$ value increases.