• Bulletin of the Korean Chemical Society
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• 제18권6호
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• pp.594-599
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• 1997

A number of complexes of transition metal ions with some coumarin derivatives have been prepared and their structures were elucidated with the help of conductometric, photometric and infrared studies. The stability constants of various complexes were determined, in aqueous medium, at different temperatures potentiometrically. The thermodynamic characteristics, ΔG, ΔH and ΔS, were calculated. The electrical behaviour of prepared compounds was followed.

• Journal of Microbiology and Biotechnology
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• 제20권7호
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• pp.1077-1085
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• 2010

With an emphasis on its thermal behavior with different pHs and salts, the kinetic and thermodynamic parameters of the purified polygalacturonase (PG) from E. carotovora subsp. carotovora (Ecc) BR1 were studied, as the characterization of an enzyme is significant in the context of burgeoning biotechnological applications. The thermodynamic parameters for polygalacturonic acid hydrolysis by the purified PG were ${\Delta}H^*$=7.98 kJ/mol, ${\Delta}G^*$=68.86 kJ/mol, ${\Delta}S^*$=-194.48 J/mol/K, ${\Delta}G_{E-S}$=-1.04 kJ/mol, and ${\Delta}G_{E-T}$=-8.96 kJ/mol. In addition, its turnover number ($k_{cat}$) was 21/sec. The purified PG was stable within a temperature range of $20-50^{\circ}C$ and was deactivated at $60^{\circ}C$ and $70^{\circ}C$. The thermodynamic parameters (${\Delta}H^*$, ${\Delta}G^*$, ${\Delta}S^*$) for the irreversible inactivation of the PG at different temperatures ($30-60^{\circ}C$) were determined, where the effectiveness of various salts and different pHs (4-8) for the thermal stability of the PG were also characterized. The efficacy of various salts for the thermal stability of the PG was in the following order: $MgCl_2$ > $BaCl_2$ > KCl > $CaCl_2$ >NaCl. Therefore, the present work presents the biochemical, substrate hydrolysis thermodynamics and the thermal stabilization parameters of the PG from Ecc.

• Nuclear Engineering and Technology
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• 제53권2호
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• pp.592-602
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• 2021

Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSi_xP_1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.

• 한국재료학회지
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• 제14권8호
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• pp.547-551
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• 2004

The sulfidation behaviour of Fe-XAl-0.3Y(X=5, 10, 14, 25 $wt.\%$) alloys was investigated at 1123 K in $H_2/H_{2}S$ gas atmosphere for $1\sim24$ hrs using SEM/EDX, XRD and EPMA. The weight changes of Fe-XAl-0.3Y alloys followed the parabolic rate law, Sulfidation rates of iron aluminide alloys with high Al content were one-twentieth lower than that of 5Al alloys. This is due to the formation of protective $Al_{2}O_3$ oxides on the surface of 10Al, 14Al and 25Al alloys. By calculating partial pressure of impurity oxygen contained $H_2/H_{2}S$ gas, the $Al_{2}O_3$ oxides formation could be explained using Fe-Al-S-O thermodynamic stability diagram. The sulfidation product scales of the 5Al alloy showed that thick iron sulfide scale(FeS) containing porosities formed during early stages of sulfidation. With continued sulfidation, aluminum sulfide was formed at the alloy/scale interface.

• 수산해양기술연구
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• 제32권4호
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• pp.411-420
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• 1996

The structure of the scale formed on the surface of Fe - Cr - X alloys exposed to 1143K high sulfidation($Ps_2$ = 1.11$\times$$10^-7$ atm, $Po_2$ = 3.11$\times$$10^-20$ atm) or sulfidation/oxidation(($Ps_2$= 1.06$\times$$10^-7$ atm, ($Po_2$ = 3.11$\times$$10^-18$ atm) environment has been observed and analysed using XRD, SEM/EDS. To investigate the possibility of protective film formed on the surface of the alloys, Aluminium, Nickel were selected as alloying elements. Thermodynamic phase stability diagram was used to predict the reaction path of scale formed on Fe - Cr - X alloys. Parabolic rate constant($K_p$) value with 6wt% Al in Fe - 25Cr alloy decreased significantly compared with the Fe - 25Cr alloy without 6wt% Al. Since thin layer of defect free sulfide film, (Al, Cr)Sx, was formed at the alloy/scale interface. Fe - rich sulfide scale at outer layer and Cr - rich sulfide scale containing porosity at inner layer of Fe - 25Cr alloy have been observed. The reaction path for these scales could be predicted by the thermodynamic stability diagram.

• 한국세라믹학회지
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• 제49권1호
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• pp.11-18
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• 2012

The characteristic features of solid oxide fuel cells are reviewed from the viewpoint of the thermodynamic variables to be developed inside cells/stacks particularly in terms of gradients of chemical potential, electrical potential and temperature and corresponding flows of air, fuel, electricity and heat. Examples of abrupt destruction of SOFC systems were collected from failures in controlling their steady flows, while continuous degradation was caused by materials behaviors under gradients of chemical potentials during a long operation. The local equilibrium approximation has been adopted in NEDO project on the durability/reliability of SOFC stacks/systems; this makes it possible to examine the thermodynamic stability/reactivity as well as mass transfer under the thermodynamic variable gradients. Major results of the NEDO project are described with a focus on degradation/deterioration of electrolyte and electrode materials.

• 한국전기전자재료학회논문지
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• 제17권4호
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• pp.361-366
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• 2004

The interface stability of Ta-Mo alloy film on SiO$_2$ was investigated. Ta-Mo alloy films were formed by co-sputtering method, and the alloy composition was varied by controlling Ta and Mo sputtering power, When the atomic composition of Ta was about 91％, the measured work function was 4.24 eV that is suitable for NMOS gate. To identify interface stability between Ta-Mo alloy film and SiO$_2$, C-V and XRD measurements were performed on the samples annealed with rapid thermal processor between $600^{\circ}C$ and 90$0^{\circ}C$. Even after 90$0^{\circ}C$ rapid thermal annealing, excellent interface stability and electrical properties were observed. Also, thermodynamic analysis was studied to compare with experimental results.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2011년도 춘계학술대회 초록집
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• pp.150.1-150.1
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• 2011

Structure-II hydrate has been highlighted due to its higher gas storage capacity and favorable thermodynamic conditions. In this study, we introduce a new structure-II hydrate former, tert-butyl hydroperoxide (TBHP) and confirm the structural characteristics through High-Resolution Powder Diffraction (HRPD), $^{13}C$ solide-state NMR and Ramanspectroscopy. Here,we also investigated the thermodynamic stability of binary(TBHP+gaseous) clathrate hydrates. The experimental data were generated using an isochoric pressure-search method. The dissociation data for (TBHP +gaseous) clathrate hydrates are compared with the other hydrocarbon hydrate and pure gaseous hydrate.

• 한국수소및신에너지학회논문집
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• 제7권1호
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• pp.63-69
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• 1996

Effect of nickel powder to added to the hydrogen absorbing alloy electrode of $MmNi_{4.5}-xCoxMn_{0.3}Al_{0.2}$ system alloy was investigated. The addition of nickel powder was effective for the improvement of discharging characteristic. It was found that the discharge capacity was 310mAhig when the alloy negative electrode was mixed $MmNi_{3.75}CO_{0.75}Mn_{0.3}Al_{0.2}$ and nickel powder with a mix of one to three. Still another, we have investigated thermodynamic stability of hydrogen in the alloy negative electrode. As a result, enthalpy of hydrogen and hydrogen equilibrium pressure in the alloy negative electrode were a suitable value to easy hydrogen absorption-desorption.

• 자원리싸이클링
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• 제27권2호
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• pp.63-67
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• 2018

자유에너지는 물질의 상대적인 안정도를 나타낸다. 수용액에 존재하는 이온의 종류는 다양하고 실험조건이 광범위하므로 열역학 자료가 부족하다. 이온의 표준생성엔탈피와 엔트로피로부터 표준수화엔탈피와 표준수화엔트로피의 절대값과 상대값을 구하는 방법을 설명하였다. 또한 대응원리를 이용하여 고온에서 열역학 자료를 추산하는 방법을 설명하였다.