• Bulletin of the Korean Chemical Society
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• v.18 no.12
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• pp.1256-1260
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• 1997

A series of acyclic polyethers bearing amide end-groups and lipophilic alkyl chains (3-5) were successfully synthesized with quantitative yields. Based upon the transport experiment in a bulk liquid membrane (BLM) system and solvent extraction, a very high selectivity of Pb2+ over other transition metal cations was observed. Measurement of thermodynamic parameters for complexation in methanol at 25 ℃ gave a strong evidence for excellent selective complexation for lead ion over other transition metal ions.

• The Magazine of the Society of Air-Conditioning and Refrigerating Engineers of Korea
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• v.5 no.1
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• pp.19-24
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• 1976

An ideal heat pump system was optimized by considering the coefficient of performance and the size of condenser and evaporator as two competing objectives. Thermodynamic limitations were included as natural constraints. Experimental data for compressor performance were utilized in evaluating the system behavior. With a varying weighting factor between the two competing objectives the optimum deiogn parameters were presented in a graphical form.

• Applied Biological Chemistry
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• v.47 no.1
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• pp.33-40
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• 2004

Thermodynamic properties of ubiquitin transient folding intermediate were studied by measuring folding kinetics in varying temperatures and denaturant concentrations. Through quantitative kinetic modeling, the equilibrium constant, hence folding free energy, between unfolded state and intermediate state in several different temperatures were calculated. Using these values, the thermodynamic parameters were estimated. The heat capacity change $({\Delta}C_p)$ upon formation of folding intermediate from unfolded state were estimated to be around 80% of the overall folding reaction, indicating that ubiquitin folding intermediate is highly compact. At room temperature, the changes of enthalpy and entropy upon formation of the intermediate state were observed to be positive. The positive enthalpy change suggests that the breaking up of the highly ordered solvent structure surrounding hydrophobic side-chain upon formation of intermediate state. This positive enthalpy was compensated for by the positive entropy change of whole system so that formation of transient intermediate has negative free energy.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.34 no.10
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• pp.56-60
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• 2006

It is essential to predict thermodynamic properties of combustion gas with respect to a propellant mixture ratio for the development of a gas generator for a liquid rocket engine. The present study shows the temperature measurement of exit combustion gas as a function of a mixture ratio through the series of combustion tests of a fuel-rich gas generator with liquid oxygen and Jet A-1. The measurements of dynamic and static pressures, and combustion gas temperatures allowed the estimation of thermodynamic properties like a specific heat ratio, a gas constant, and a constant pressure specific heat of the combustion gas. The comparison of the experimental results with predictions made by interpolation parameters obtained from the modification of the chemical equilibrium code indicates that the interpolation method calibrated using the temperature measurements can be utilized as an effective tool for the initial design of a fuel-rich gas generator.

• Journal of the Korean Chemical Society
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• v.36 no.2
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• pp.212-217
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• 1992

The thermodynamic parameters for the formation of gadolinium benzoate have been determined in the ionic medium of 0.1 M $NaClO_4$ at $25^{\circ}C$ in aqueous solution. The thermodynamic results indicate that the complex is stabilized by the excess entropy effect caused by the dehydration of reacting ions. The especially high stability of Gd(III)-benzoate compared to the monodentate ligand complexes might be ascribed to the conjugation effect of the benzene ring in the benzoate ligand. IR spectra show that benzoate anion acts as a bidentate ligand toward $Gd^{3+}$ to form a chelate ring in solid state. Magnetic susceptibility data of the compound were also obtained and well described by Curie-Weiss law in the temperature range 80${\sim}$300K.

• Nuclear Engineering and Technology
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• v.53 no.2
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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.

• Bulletin of the Korean Chemical Society
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• v.33 no.10
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• pp.3184-3190
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• 2012

Color impurity in industrial effluents pose a significant risk to human health and the environment, so much effort has been expended to degrade them using various methods, including the use of clay minerals as adsorbent. The purpose of this study was to advance understanding of the mechanisms for the removal of methylene blue (MB) from aqueous solutions onto montmorillonite as an adsorbent. Preliminary experiments showed that montmorillonite was effective for this purpose and adsorption equilibrium could be reached in about 24 h. Adsorption capacity of the clay decreased with increase in temperature and ionic strength, and increased with in pH. The fitness of equilibrium data to common isotherm equations such as the Langmuir, Freundlich, Elovich, Temkin and Dubinin-Radushkevich were tested. The Langmuir equation fitted to equilibrium data better than all tested isotherm models. Thermodynamic activation parameters such as ${\Delta}G^0$, ${\Delta}S^0$ and ${\Delta}H^0$ were also calculated and results were evaluated. As result montmorillonite clay was found as effective low cost adsorbent for removal of cationic dyes from waste waters.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.9 no.1
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• pp.80-83
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• 1999

Processing of thin films by chemical vapor deposition(CVD) is accompanied by chemical reactions, in which the rigorous kinetic analysis is difficult to achieve. In these conditions, thermodynamic calculation leads to better understanding of the CVD process and helps to optimise the experimental parameters to obtain a desired product. A CVD phase diagram has been used as guide lines for the process. By determining the effect of each process variable on the driving force for deposition, the thermodynamic limit of the substrate temperature for a diamond deposition is calculated in the C-H system by assuming that the limit is defined by the CVD diamond phase diagram. The addition of iso-supersaturation ratio lines to the CVD phase diagram in the Si-Cl-H system provides additional information about the effects of CVD porcess variables.

• Journal of Hydrogen and New Energy
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• v.13 no.1
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• pp.42-51
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• 2002

Methane can be converted directly to hydrogen by pyrolysis. The reaction is highly endothemic and heat must be supplied at high temperatures. Gibbs free energy minimization calculations have been carried out for the methane pyrolysis to determine equilibrium products. The calculation parameters are the temperature, the initial H/C ratio, the pressure and Gibbs energies of each substance. Methane, ethylene, acetylene, benzene, naphthalene, and hydrogen are the main products. Excluding hydrogen, it is observed that ethylene and aromatics(benzene+naphthalene) are predominant products below 1400K, whereas acetylene is significantly formed above 1400K. Hydrogen dilution increases the selectivities for ethylene and acetylene and decreases the selectivity for aromatics. Increasing the pressure also decreases the decomposition of methane.

• Asian Journal of Atmospheric Environment
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• v.9 no.1
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• pp.86-90
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• 2015

Temperature was considered to estimate the minimum detectable absorption coefficient of aerosol particles from photothermal spectroscopy. Light energy absorbed by subsequent emission from the aerosol results in the heating of the aerosol sample and consequently causes a temperature change as well as changes in thermodynamic parameters of the sample. This thermal effect is the basis of photothermal spectroscopy. Photothermal spectroscopy has several types of techniques depending on how the photothermal effects are detected. Photothermal interferometry traces the photothermal effect, refractive index, using an interferometer. Photoacoustic spectroscopy detects the photothermal effect, sound wave, using a microphone. In this study, it is suggested that the detection limit for photothermal spectroscopy can be influenced by the introduction of a slip correction factor when the light absorption is determined in a high temperature environment. The minimum detectable absorption coefficient depends on the density, the specific heat and the temperature, which are thermodynamic properties. Without considering the slip correction, when the temperature of the environment is 400 K, the minimum detectable absorption coefficient for photothermal interferometry increases approximately 0.3% compared to the case of 300 K. The minimum detectable absorption coefficient for photoacoustic spectroscopy decreases only 0.2% compared to the case of 300 K. Photothermal interferometry differs only 0.5% point from photoacoustic spectroscopy. Thus, it is believed that photothermal interferometry is reliably comparable to photoacoustic spectroscopy under 400 K.