• Nuclear Engineering and Technology
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• 제29권2호
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• pp.127-137
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• 1997

Equilibrium concentrations of major elements in an underground repository with a capacity of 100,000 drums have been simulated using the geochemical computer code (EQMOD). The simulation has been carried out at the conditions of pH 12 to 13.5, and Eh 520 and -520 mV. Solubilities of magnesium and calcium decrease with the increase of pH. The solubility of iron increases with pH at Eh -520 mV of reducing environment while it almost entirely exists as the precipitate of Fe(OH)$_3$(s) at Eh 520 mV of oxidizing environment. All of cobalt and nickel are predicted to be dissolved in the liquid phase regardless of pH since the solubility limit is greater than the total concentration. In the case of cesium and strontium, all forms of both ions are present in the liquid phase because they have negligible sorption capacity on cement and large solubility under disposal atmosphere. And thus the total concentration determines the equilibrium concentration. Adsorbed amount of iodide and carbonate are dependent on adsorption capacity and adsorption equilibrium constant. Especially, the calcite turns out to be a solubility-limiting phase on the carbonate system. In order to validate the model, the equilibrium concentrations measured for a number of systems which consist of iron, cement, synthetic groundwater and radionuclides are compared with those predicted by the model. The concentrations between the model and the experiment of nonadsorptive elements cesium, strontium, cobalt nickel and iron, are well agreed. It indicates that the assumptions and the thermodynamic data in this work are valid. Using the adsorption equilibrium constant as a free parameter, the experimental data of iodide and carbonate have been fitted to the model. The model is in a good agreement with the experimental data of the iodide system.

• Corrosion Science and Technology
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• 제7권4호
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• pp.237-242
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• 2008

Physical properties of water, such as dielectric constant and ionic product, significantly vary with the density of water. In the supercritical conditions, since density of water widely varies with pressure, pressure has a strong influence on physical properties of water. Dielectric constant represents a character of water as a solvent, which determines solubility of an inorganic compound including metal oxides. Dissociation equilibrium of an acid is also strongly dependent on water density. Dissociation constant of acid rises with increased density of water, resulting in drop of pH. Density of water and the density-related physical properties of water, therefore, are the major governing factors of corrosion and environmentally assisted cracking of metals in supercritical aqueous solutions. This paper discusses importance of "physical properties of water" in understanding corrosion and cracking behavior of alloys in supercritical water environments, based on experimental data and estimated solubility of metal oxides. It has been pointed out that the water density can have significant effects on stress corrosion cracking (SCC) susceptibility of metals in supercritical water, when dissolution of metal plays the key role in the cracking phenomena.

• 한국환경과학회지
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• 제7권6호
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• pp.753-759
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• 1998

In physical and reactive extraction of acrylic acid using various solvents the equilibrium characteristics of extraction were investigated. The degree of extraction in reactive extraction with Tri-n-octylamine(TOA) was 1.5~3 times than that in physical extraction. Distribution ratio was constant in methyl isobutyl ketone(MIBK) and n-butylacetate(n-BAc) but was increased with increasing the concentration of acrylic acid in benzene and chloroform. It can be explained by formation of dimers. Maximum extraction leadings of acrylic acid were three in benzene and were two in MIBK, chloroform and n-BAc, and it was found that acrylic acid was extracted as the form of $A_3$R In benzene and $A_2R$ in MIBK, chloroform and n-BAc. In effect of solvent, the degree of extraction was increased as he difference of solubility parameter of solvent and solute was decreased, and as dielectric constant of solvent was increased.

• 약학회지
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• 제7권1호
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• pp.1-7
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• 1963

This investigation is the studies on the solubility analysis for several pharmaceuticals. The equilibrium reactions leading to complex formation of Caffeine and Nicotinamide with Lidocaine and Saccharin have been studied. The equilibrium constant of each complexes have also been calculated. It is shown that complex formation may lead to an increase in the solubilities of the reactants, and that Nicotinamide has more complexing activity than Caffeine. The influence of chemical structure of each components on interaction is also discussed.

• Korean Chemical Engineering Research
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• 제62권2호
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• pp.173-180
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• 2024

Under ordinary atmospheric circumstances, the gravimetric technique was used to measure the solubility of L-cysteine (L-Cys) and L-alanine (L-Ala) in various solvents, including methyl alcohol, ethyl acetate, and mixtures of the two, in the range o 283.15 K to 323.15 K. Both individual solvents and their combinations showed a rise in the solubility of L-Cys and L-Ala with increasing temperature, according to the analyzed data but when analyzed at a constant temperature in the selected mixed solvents, the solubility declined with decreasing of initial mole fractions of methyl alcohol. To further assess, the relative utility of the four solubility models, we fitted the solubility data using the Jouyban-Acree (J-A), van't Hoff-Jouyban-Acree (V-J-A), Apelblat-Jouyban-Acree (A-J-A), and Ma models followed by evaluation of the values of the RAD information criteria and the RMSD were. The dissolution was also found to be an entropy-driven spontaneous mixing process in the solvents since the thermodynamic parameters of the solvents were determined using the van't Hoff model. In order to support the industrial crystallization of L-cysteine and L-alanine and contribute to future theoretical research, we have determined the experimental solubility, correlation equations, and thermodynamic parameters of the selected amino acids during the dissolution process.

• Journal of Pharmaceutical Investigation
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• 제30권1호
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• pp.33-37
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• 2000

One of the methods to increase the solubility of a drug is to use complexation with a cyclodextrin. Due to the hydrophobic nature of the interior cavity of the cyclodextrin, it has been known that undissociated lipophilic drugs can be included within the cyclodextrin by hydrophobic interaction. Recently, inclusion of hydrophilic or dissociated form of a drug has been investigated. In this study, the synergism of pH and complexation with $hydroxypropy-{\beta}-cyclodextrin\;(HP\;{\beta}\;CD)$ to increase the solubility of two oxicam derivatives was investigated. In addition, the effect of partition coefficient of dissociated and undissociated form of the drug on the extent of complexation with HP ${\beta}$ CD was studied. The solubility was measured by equilibrium solubility method. The solubility of tenoxicam and piroxicam increased exponentially with an increase in solution pH above the pKa of the drug in the presence and absence of HP ${\beta}$ CD. The solubility of the drugs increased linearly as a function of HP ${\beta}CD$ concentration at fixed pH. Although the stability constant of ionized species is less than that of the unionized species, the concentration of the ionized drug complex is greater than that of the unionized drug complex due to higher concentration of ionized species at pH 7.3.

• Journal of Pharmaceutical Investigation
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• 제33권1호
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• pp.45-49
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• 2003

The solubility and stability of ondansetron hydrochloride (OS) in various vehicles were determined. The effect of cyclodextrins (CD) on the solubility of OS in water was determined by equilibrium solubility method. The solubility of OS at $32^{\circ}C$ increased in the rank order of isopropyl myristate (IPM) < propylene glycol laurate (PGL) ${\ll}$ propylene glycol monolaurate < propylene glycol monocaprylate (PGMC) < poly(ethylene glycol) 400 < diethylene glycol mono ethyl ether (DGME) < ethanol < poly(ethylene glycol) 300 < water (36.1 mg/ml) ${\ll}$ propylene glycol (PG) (283 mg/ml). The addition of PG or DGME to non-aqueous vehicles such as IPM, PGL and PGMC markedly increased the solubility of OS. The addition of CDs in water increased the solubility. Apparent stability constant for the CD complexation with OS was calculated to be $25.5\;M^{-1}$ for $2-hydroxypropyl-{\beta}-CD\;(2HP{\beta}CD)$. Twenty mM ${\beta}-CD$, 69.4 mM sulfobutyl ether ${\beta}-CD$ and 115.4 mM $2HP{\beta}CD$ increased the aqueous solubilty of OS 1.27, 2.18 and 1.85 times, respectively. OS was stable in buffered aqueous solution (pH 5.0). However, OS was relatively unstable in non-aqueous vehicles in the order of PG

• Korean Chemical Engineering Research
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• 제56권5호
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• pp.732-737
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• 2018

Experimental data of phase equilibria are reported for the binary mixture of 1-phenyl-2-pyrrolidone in supercritical carbon dioxide. Phase behavior data was measured in a synthetic method at a temperature ranging from 333.2 to 393.2 K and at pressures up to 97.14 MPa. The solubility of 1-phenyl-2-pyrrolidone in the carbon dioxide + 1-phenyl-2-pyrrolidone system increased as temperature increased at a constant pressure and it exhibited the type-I phase behavior. The experimental data for the binary mixture were correlated with the Peng-Robinson equation of state using mixing rule and the critical properties of 1-phenyl-2-pyrrolidone were predicted with the Joback and Lyderson method.

• Macromolecular Research
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• 제10권5호
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• pp.273-277
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• 2002

Ultra-thin polymer films containing cobalt(II) meso-tetraphenylporphyrin(CoTPP) have been prepared by vacuum codeposition of the metal complex and trans-2-butene as an organic monomer using an inductively coupled RF glow discharge operating at 7-9 Watts. The polymer films were characterized by sorption measurements. Sorption data obtained for polymer films containing CoTPP indicate that the CoTPP molecules are capable of reversibly binding oxygen molecules. It was found that the adjacent CoTPP molecules in the aggregated metal complex phase could irreversibly share the oxygen molecules. A dispersion of the metal complex molecules in the polymer matrix was made to maintain the reversible reactivity of the metal complex molecules with oxygen in the polymer films via vacuum evaporation process. The Henry mode solubility constant, the Langmuir mode capacity constant, the amount of binding oxygen, and the dissociation equilibrium in the dual mode sorption theory were discussed.

• 대한화학회지
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• 제54권3호
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• pp.269-274
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• 2010

NaCl-$CaCl_2$-$H_2O$와 KCl-$CaCl_2$-$H_2O$계의 용해도와 물리화학적 성질(굴절률)을 $50^{\circ}C$에서 측정하였으며, 그 결과를 상평형 그림과 조성에 따른 물리화학적 성질에 대한 도표로 나타내었다. 삼성분계의 상 평형 그림은 불변점이 하나, 일변수 곡선이 둘, NaCl (또는 KCl) 및 $CaCl_2{\cdot}2H_2O$에 대응되는 결정화 지역이 두 개가 있음을 보여주었다. 이들 계에 대하여 혼합 파라미터인 ${\theta}_{M,Ca}$와 ${\Psi}_{M,Ca,Cl}$ (M = Na or K), 평형상수 $K_{sp}$를 최소제곱법을 이용하여 결정하였으며, 이때, NaCl, KCl 및 $CaCl_2$의 단일-염 Pitzer 파라미터 ${\beta}^{(0)}$, ${\beta}^{(1)}$, ${\beta}^{(2)}$ and $C^{\Phi}$는 참고문헌을 통하여 직접 계산하였다. 이 결과들은 실험결과와 잘 일치하였다.