• YAKHAK HOEJI
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• v.26 no.4
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• pp.231-237
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• 1982

The transformation kinetics between polymorphs of sulpiride and the effect of additives on the transformation kinetics were studied. The results could be summarized as follows. 1. Transformation kinetics of the polymorph form I to form II in water suspenion was first order type and transformation rate constant at $25^{\circ}C$ is $2.61{\times}10^{-2}min^{-1}$, the half life of form I was about 27 minutes and the activation energy for transformation was 21.35 Kcal/mole. 2. Glycerine and coloring agents increased the rate of transformation., In the case of polysorbate 80, the rate constant increased in proportion to the concentration of polyserbate 80. Simple syrup showed no effect 3n transformation kinetics.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2281-2285
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• 2013

The electronic structure, optical spectra, and thermodynamic properties of the three FOX-7 polymorphs (${\alpha}$, ${\beta}$, and ${\gamma}$) have been studied systematically using density functional theory. The LDA (CA-PZ) and generalized gradient approximation (GGA) (PW91) functions were used to relax the three FOX-7 phases without any constraint. Their density of states and partial density of states were calculated and analyzed. The band gaps for the three phases were calculated and the sequence of their sensitivity was presented. Their absorption coefficients were computed and compared. The thermodynamic functions including enthalpy (H), entropy (S), free energy (G), and heat capacity ($C_p$) for the three phases were evaluated.

• The Journal of the Petrological Society of Korea
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• v.9 no.4
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• pp.205-210
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• 2000

Measurements of phase identification and degree of orientation for fine-grained (about 0.3 mm in diameter) minerals in rock samples performed by micro-area X-ray diffractometer.$Al_{2}SiO_{5}$ polymorphs (andalusite, kyanite and sillimanite) were chosen for the measurements and target minerals were existed on thin sections. Micro-area X-ray diffractometer is composed of 3(${\omega}\;{\chi}\;{\phi}$)-circle oscillating goniometer and position sensitive proportional counter (PSPC). $CuK_{\alpha}$ radiation was used as X-ray source and a pin hole ($50\;\mu\textrm{m}$$ in diameter) collimator was selected to focus radiation X-ray onto the target minerals. Phase identification and diffracted X-ray peak indexing were carried out by 3(${\omega}\;{\chi}\;{\phi}$)-circle oscillation measurement. Then, 2(${\omega}\;{\phi}$)-circle oscillation measurement was made for the purpose of searching the prevailing lattice plane of the minerals on thin section surface. Finally, for a selected peak by 2-circle oscillation measurement, X-ray pole figure measurement was executed for the purpose of check the degree of orientation of the single lattice direction and examine its pole distribution. As a result of 3-circle oscillation measurement, it was possible that phase identification among $Al_{2}SiO_{5}$ polymorphs. And from the results of 2-circle oscillation measurement and X-ray pole figure measurement, we recognized that poles of andalusite (122), kyanite (200) and sillimanite (310) lattice plances were well developed with direction normal to each mineral surface plane respectively. Therfore, the measurements used with micro-area X-ray diffractometer in this study will be a useful tool of phase identification and degree of orientation measurement for fine-grained rock forming minerals.

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2413-2415
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• 2010

• Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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• 2002.11a
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• pp.97-117
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• 2002

A chemoinfometrical method for quantitative determination of crystal content of indomethacin (IMC) polymorphs based on fourie-transformed near-infrared (FT-NIR) spectroscopy was established. A direct comparison of the data with the ones collected from using the conventional powder X-ray diffraction method was performed. Pure $\alpha$ and ${\gamma}$ forms of IMC were prepared using published methods. Powder X-ray diffraction profiles and NIR spectra were recorded for six kinds of standard materials with various content of ${\gamma}$ form IMC. The principal component regression (PCR) analyses were performed based on normalized NIR spectra sets of standard samples of known content of IMC ${\gamma}$ form. A calibration equation was determined to minimize the root mean square error of the prediction. The predicted ${\gamma}$ form content values were reproducible and had a relatively small standard deviation. The values of ${\gamma}$ form content predicted by two methods were in close agreement. The results were indicated that NIR spectroscopy provides for an accurate quantitative analysis of crystallinity in polymorphs compared with the results obtained by conventional powder X-ray diffractometry.

• Resources Recycling
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• v.24 no.4
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• pp.22-31
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• 2015

From results obtained by adjusting experimental variables based on the kinetic, the nucleation rate for formation of precipitated calcium carbonate (PCC) was investigated. Formation behavior of PCC was investigated for various concentrations of NaOH solution and $Na_2CO_3$ addition methods in the $Ca(OH)_2$ slurry. The range of nucleation rate was investigated for dissolution rates of major ion concentrations, $Ca^{2+}$ and $CO{_3}^{2-}$. In case of high concentration of major ions, vaterite and calcite were synthesized. The high nucleation rate was achieved for lower either $Ca^{2+}$ or $CO{_3}^{2-}$ ion concentration, calcite was mainly synthesized and when concentration of major ions was low, aragonite was synthesized. Furthermore, the formation of calcite was decreased with increasing concentration of NaOH. homogeneous aragonite could be obtained by addition 5 M NaOH. Therefore, in this study, specific shape of polymorphs could be prepared through controlling supersaturation.

• Korean Chemical Engineering Research
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• v.60 no.4
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• pp.564-573
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• 2022

Calcium carbonate (CaCO₃) exhibits three polymorphs: calcite with arhombohedral, vaterite with a spherical, and aragonite with a needle-like structure. Qualitative and quantitative analyses of the morphology of CaCO₃ are very important to investigate the synthesis of single-crystal vaterite and aragonite. In this work, the polymorphs of calcium carbonate were quantitatively analyzed using XRD. Pure vaterite and pure aragonite were synthesized and the peak distribution of a single phase was analyzed. The vaterite fraction of a mixture of calcite and vaterite was calculated based on the intensity of a specific diffraction peak, and compared to the results based on the peak area. The mean value of f_sV (the correction factor for the peak area of vaterite) was 0.654. The phase analysis of calcite-aragonite mixtures was performed, and the mean value of f_sA (the correction factor for the peak area of aragonite) was obtained as 0.6713. Using these factors, Eq. (24)~Eq. (32) for the quantitative analysis based on the total peak area of XRD were derived to calculate the phase contents of ternary phase CaCO₃. And three-component XRD section was defined considering overlapping sections.

• Archives of Pharmacal Research
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• v.28 no.6
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• pp.730-735
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• 2005

Nine polymorphic modifications of doxazosin mesylate have been obtained by recrystallization in organic solvents under variable conditions. Different polymorphs of doxazosin mesylate were characterized by powder X-ray crystallography diffractometry (PXRD), differential scanning calorimetry (DSC), and thermogravimetric analysis (TG). Transformation of Form 1 and Form 2 was not occurred in three relative humidities ($0\%$, $51\%$, and $99\%$) at 20$\pm$0.5 for 30 days.

• Bulletin of the Korean Chemical Society
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• v.30 no.9
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• pp.2007-2010
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• 2009

Donepezil hydrochloride is a reversible acetylcholinesterase inhibitor that is used in the treatment of Alzheimer’s disease to improve the cognitive performance. It shows different crystalline forms including hydrates. Therefore, it is very important to confirm the polymorphic forms in the formulations of pharmaceutical materials because polymorphs of the same drug often exhibit significant differences in solubility, bioavailability, processability and physical/chemical stability. In this paper, four different forms of donepezil hydrochloride were prepared and characterized using X-ray powder diffraction, Fourier transform infrared, and solid-state nuclear magnetic resonance (NMR) spectroscopy. This study showed that solid-state NMR spectroscopy is a powerful technique for obtaining structural information and the polymorphology of pharmaceutical solids.

• Journal of the Korean Ceramic Society
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• v.34 no.9
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• pp.957-962
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• 1997

Dicalcium silicate has many polymorphs according to temperature. $\beta$-dicalcium silicate which exists in cement is stabilized by minor components drived from raw materials regardless of temperature, such as high temperature and room temperature. K2O, SO3 and B2O3 are effective stabilizers for $\beta$-dicalcium silicate at room temperature. B2O3 was the most effective stabilizer. Transformation from $\beta$ to ${\gamma}$ phase causes dicalcium silicate to change volume, resulting in dusting phenomenon. When B2O3 was used the phase transformation is the least than any other stabilizers. In addition, the starting temperature of quenching influences phases transformation : low temperature of quenching presented much phase transformation and decreased size of parameter of $\beta$-dicalcium silicate.