• Transactions of the Korean hydrogen and new energy society
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• v.10 no.2
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• pp.101-106
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• 1999

Hydrogen solubility in internally oxidized Pd-Mo(Al) alloys has been studied at 323 K from the measurements of pressure-composition(p-c) isotherms. Internal oxidation of $Pd_{0.985}Al_{0.015}$ and $Pd_{0.97}Mo_{0.03}$ alloys results in the precipitation of Al and Mo particles in a matrix of pure Pd. It has been observed that the presence of the aluminum and molybdenum oxide precipitates results in an enhanced hydrogen solubility in the dilute phase region of Pd-H in a Pd/aluminum(molybdenum)oxide composites. Hydrogen solubility enhancements due to the presence of residual stresses around ceramic particles have been observed from p-c isotherms determined at 323 K after oxidation at 1073 K. The solubility enhancements in completely internally oxidized alloys are greater than that in partially oxidized alloys. The stress fields near the ceramic precipitates are the major source of the solubility enhancements. Transmission electron microscopy indicates that alumina precipitates are nanometer-sized and coherent with the Pd matrix after oxidation.

• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2454-2458
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• 2007

Exploring the basic concepts for the design of CO2-philic molecules is important due to the possibility for “green” chemistry in supercritical CO2 as substitute solvent systems. The Lewis acid-base interactions and C?H…O weak hydrogen bonding were suggested as two key factors for the solubility of CO2-philic molecules. We have performed high level quantum mechanical calculations for the van der Waals complexes of CO2 with trimethylphosphate and trimethylphosphine oxide, which have long been used for metal extractants in supercritical CO2 fluid. Structures and energies were calculated using the MP2/6-31+G(d) and recently developed multilevel methods. These studies indicate that the Lewis acid-base interactions have larger impact on the stability of structure than the C?H…O weak hydrogen bonding. The weak hydrogen bonds in trimethylphosphine oxide have an important role to the large supercritical CO2 solubility when a metal is bound to the oxygen atom of the P=O group. Trimethylphosphate has many Lewis acid-base interaction sites so that it can be dissolved into supercritical CO2 easily even when it has metal ion on the oxygen atom of the P=O group, which is indispensable for a good extractant.

• Nuclear Engineering and Technology
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• v.47 no.6
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• pp.746-755
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• 2015

To investigate the effect of hydrogen and oxygen contents on hydride reorientations during cool-down processes, zirconium-niobium cladding tube specimens were hydrogen-charged before some specimens were oxidized, resulting in 250 ppm and 500 ppm hydrogen-charged specimens containing no oxide and an oxide thickness of $0.38{\mu}m$ at each surface. The nonoxidized and oxidized hydrogen-charged specimens were heated up to $400^{\circ}C$ and then cooled down to room temperature at cooling rates of $0.3^{\circ}C/min$ and $8.0^{\circ}C/min$ under a tensile hoop stress of 150 MPa. The lower hydrogen contents and the slower cooling rate generated a larger fraction of radial hydrides, a longer radial hydride length, and a lower ultimate tensile strength and plastic elongation. In addition, the oxidized specimens generated a smaller fraction of radial hydrides and a lower ultimate tensile strength and plastic elongation than the nonoxidized specimens. This may be due to: a solubility difference between room temperature and $400^{\circ}C$; an oxygen-induced increase in hydrogen solubility and radial hydride nucleation energy; high temperature residence time during the cool-down; or undissolved circumferential hydrides at $400^{\circ}C$.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.4
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• pp.458-464
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• 2011

Recently, one of the hydrogen production methods has attracted using dense metallic membrane. It has high hydrogen permeation and selectivity which hardly could adopt industrial product because of high cost, hydrogen embrittlment and thermal stability. Meanwhile, vanadium has high hydrogen solubility and it use to instead of Pd-Ag amorphous membrane. Aluminum carried out blocking hydrogen diffusion on grain boundary therefore protecting hydrogen embrittlement. Most of dense metallic membrane is solution diffusion mechanism. The solution diffusion mechanism was very similar hydrogen storing steps such as steps of metal hydride. Thus, V-Al composites were fabricated to use hydrogen induced mechanical alloying. The fabricated V-Al composites were characterized by XRD, SEM, EDS and simultaneous TG/DSC analyses. The hydrogenation behaviors were evaluated using a Sievert's type automatic PCT apparatus. The hydrogenation behaviors of V-Al composites was evaluated too low hydrogen stored capacity and fast hydrogenation kinetics. In PCI results, V-Al composites had low hydrogen solubility, in spite of that, hydrogen kinetics was calculated very fast and hydrogen absorption/desorption contents were same capacity.

• Transactions of the Korean hydrogen and new energy society
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• v.27 no.1
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• pp.13-21
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• 2016

The Sulfur-Iodine thermochemical hydrogen production process (SI process) consists of the Bunsen reaction section, the $H_2SO_4$ decomposition section, and the HI decomposition section. The $HI_x$ solution ($I_2-HI-H_2O$) could be recycled to Bunsen reaction section from the HI decomposition section in the operation of the integrated SI process. The phase separation characteristic of the Bunsen reaction using the $HI_x$ solution was similar to that of $I_2-H_2O-SO_2$ system. On the other hands, the amount of produced $H_2SO_4$ phase was small. To investigate the effects of $SO_2$ solubility on Bunsen reaction, the continuous Bunsen reaction was performed at variation of the amounts of $SO_2$ gas. Also, it was carried out to make sure of the effects of partial pressure of $SO_2$ in the condition of 3bar of $SO_2-O_2$ atmosphere. As the results, the characteristic of Bunsen reaction was improved with increasing the amounts and solubility of $SO_2$ gas. The concentration of Bunsen products was changed by reverse Bunsen reaction and evaporation of HI after 12 h.

• Environmental Sciences Bulletin of The Korean Environmental Sciences Society
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• v.3 no.2
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• pp.131-136
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• 1999

The solubility of H2S is an important parameter for modeling H2S absorption. Since the direct measurement of H2S solubility in aqueous amine solutions is impossible, this work initially attempted to develop an H2S analogy method, however, this was unsuccessful. Consequently, H2S solubilities were measured in aqueous amines which were completely protonated with HCI over a temperature range of 25-60℃. The solvents investigated in this work included 0-50% aqueous solutions of methyldiethanolamine and diethanolamine. Thereafter, a new empirical correlation was developed that can predict Henry's constant for H2S using only the solubility of H2S in water and t도 molecular weight of the aqueous solvent.

• Korean Chemical Engineering Research
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• v.58 no.1
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• pp.98-105
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• 2020

By the gravimetric method at atmospheric pressure, the solubility of two α-amino acids was resolved over temperatures from (293.15 to 323.15) K. The α-amino acids studied were L-arginine and L-histidine. Results showed a salting-out effect on the solubility of the tested amino compounds. It is obvious that there was an increase in the solubility, in aqueous chloride solutions, with the increasing temperature. Results were translated regarding the salt hydration shells and the ability of the solute to form hydrogen-bond with water. The solubility data was precisely associated with a semi-empirical equation. The standard molar Gibbs free energies of transfer of selected α-amino compounds (Δ_trG^o) from pure water to aqueous solutions of the chloride salts have been calculated from the solubility data. The decrease in solubility is correlated to the positive (Δ_trG^o) value which is most part of the enthalpic origin.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.590-594
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• 2008

The inclusion complexes of cyclodextrins (CDs) with flavones in aqueous solution were investigated by phase solubility measurements. The effect of b -cyclodextrin (b -CD), heptakis (2,6-di-O-methyl) b -cyclodextrin (DM-b -CD) and 2-hydroxypropyl-b -cyclodextrin (HP-b -CD) on the aqueous solubility of three flavones, namely, chrysin, apigenin and luteolin was investigated, respectively. Solubility enhancements of all flavones obtained with three CDs followed the rank order: HP-b -CD > DM-b -CD > b -CD, and besides, CDs show higher stability constant on luteolin than that on others flavones. 1H-nuclear magnetic resonance (NMR) spectroscopy and molecular modeling was used to help establish the model of interaction of the CDs with luteolin. NMR spectroscopic analysis suggested that A-C ring, and part of the B ring of luteolin display favorable interaction with the CDs, which was also confirmed by docking studies based on the molecular simulation. The observed augmentation of solubility of luteolin by three CDs was explained by the difference of electrostatic interaction of each complex, especially hydrogen bonding.

• Bulletin of the Korean Chemical Society
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• v.23 no.12
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• pp.1729-1732
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• 2002

The LB71350,(3S, 4R)-Epoxy-(5S)-[[N-(1-methylethoxy)carbonyl]-3-(methylsulfonyl)-L-valinyl]amino]-N-[2-methyl-(1R)-[(phenyl)carbonylpropyl-6-phenylhexanamide, is a novel HIV protease inhibitor. Its equilibrium solubility at room temperature was less than $40{\mu}g/mL.$ It was speculated that the low aqueous solubility might be due to the high crystalline lattice energy resulting from intermolecular hydrogen bonds. The present study was carried out to learn the solid-state characteristics of LB71350 using analytical methods such as NMR, FT-IR and XRD. $^{13}C$ Solid-state NMR, solution NMR, and FT-IR spectra of the various solid forms of LB71350 were used to identify the conformation and structure of the solid forms. The chemical shifts of $^{13}C$ solid-state NMR spectra suggest that the crystalline form might have 3 intermolecular hydrogen bondings between monomers.

• Transactions of the Korean hydrogen and new energy society
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• v.35 no.2
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• pp.115-120
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• 2024

In this study, the extent of water removal in the high-moisture coal was measured. The simplified adsorption model was developed to predict the extent of water removal. The water removal was observed to increase up to 25% at saturation condition of 25℃. The modeling work shows that adsorption contributes the water removal only by 3%, whereas other factors such as CO₂ solubility and wettability would be responsible for the water removal.