• Bulletin of the Korean Chemical Society
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• v.20 no.5
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• pp.587-591
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• 1999

A molecular dynamics simulation study on the structure and dynamics of Na+ ions in non-rigid dehydrated Na12-A zeolite framework at 298.15 K was conducted using the same method reported in previous studies on rigid and non-rigid Na12-A zeolite frameworks. The agreement between the experimental and calculated results for the zeolite-A framework atoms of structural parameters for non-rigid dehydrated Na12-A zeolite is generally quite good, and for the adsorbed Na+ions the agreement is acceptable. The calculated bond lengths are generally in good agreement with the experimental results and other theoretical data. The calculated IR spectrum by Fourier transform of the total dipole moment autocorrelation function shows two major peaks around 2700 cm-1 and 7000 cm-1. The former appeared in the calculated IR spectra of non-rigid zeolite-A framework only system and the latter remains unexplained except, perhaps, indicating a new formation of a vibrational mode of the framework due to the adsorption of Na+ ions. The peaks above 6200-6800 cm-1 in non-rigid dehydrated Nal2-A zeolite are much larger than those in non-rigid dehydrated H12-A zeolite.

• Journal of Environmental Science International
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• v.12 no.12
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• pp.1321-1327
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• 2003

Two different kinds of cases, with and without addition of noncrystalline silica to the Hadong kaolin were studied to obtain useful information on the synthesis of zeolite. The research was carried out to investigate the formation area and the crystalized degree of zeolite according to a synthetic time, the water content of raw material mixture, KOH concentration, and stirring intensity. In the case of without addition of noncrystalline silica to the Hadong kaolin and the low concentration range of KOH, the structure of the kaolin was not changed. However, when the mole ratio of K2O/SiO$_2$ in natural kaolin was increased, Linde-L zeolite and unknown structure of kaolins, U-1 and U-2 were produced. While in the high concentration range of KOH, the unknown structure of kaolins, U-6 and U-2, were produced and the production rate of U-6 was increased with the increased of K2O/SiO$_2$ mole ratio. In the case of with addition of noncrystalline silica to the Hadong kaolin and treatment with KOH hydrothermal processing, ZSM-5, ZSM-35, and Linde-L zeolites and the mixture of unknown structure of zeolites, U-1, U-2, U-3, and U-4, were obtained. Both cases demonstrated that the synthesis of zeolite from the Hadong kaolin was highly influenced by KOH concentration of raw material mixture.

• Macromolecular Research
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• v.15 no.7
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• pp.662-670
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• 2007

The crystallization behavior and fine structure of poly(ethylene terephthalate) (PET)/A-zeolite nanocomposites were assessed via differential scanning calorimetry (DSC) and time-resolved small-angle X-ray scattering (TR-SAXS). The Avrami exponent increased from 3.5 to approximately 4.5 with increasing A-zeolite contents, thereby indicating a change in crystal growth formation. The rate constant, k, evidenced an increasing trend with increases in A-zeolite contents. The SAXS data revealed morphological changes occurring during isothermal crystallization. As the zeolite content increased, the long period and amorphous region size also increased. It has been suggested that, since PET molecules passed through the zeolite pores, some of them are rejected into the amorphous region, thereby resulting in increased amorphous region size and increased long period, respectively. In addition, as PET chains piercing into A-zeolite pores cannot precipitate perfect crystal folding, imperfect crystals begin to melt at an earlier temperature, as was revealed by the SAXS profiles obtained during heating. However, the spherulite size was reduced with increasing nanofiller content, because impingement between adjacent spherulites in the nanocomposite occurs earlier than that of homo PET, due to the increase in nucleating sites.

• Proceedings of the KAIS Fall Conference
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• 2001.05a
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• pp.215-219
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• 2001

NaY Zeolite를 Autoclave의 자생압력하에 90℃에서 6-36시간 수열 합성법에 의해 합성하였다. 합성된 NaY Zeolite는 1-2㎛의 크기를 갖는 octahedral 구조이고, 격자상수(a)는 23.9230인 NaY zeolite가 단일상으로 합성되었다. SiO₂/Al₂O₃의 몰비는 NaY type인 3.65이고, 상용 NaY zeolite의 BET(509.3㎡/g)에 비하여 Muti- point BET가 약 607.2로 100㎡/g 증가하였고, Pore volume은 0.2416cc/g에 비하여 0.3149cc/g로 증가하였다.

• Bulletin of the Korean Chemical Society
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• v.20 no.3
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• pp.285-290
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• 1999

In the present paper, we report a molecular dynamics (MD) simulation study for the structure and dynamics of H+ ions in non-rigid dehydrated H12-A zeolite framework at 298.15 K, using the same method we used in our previous studies of rigid and non-rigid zeolite-A frameworks. It is found that two different structures appear, depending on the choice of the Lennard-Jones parameter (σ) for the H+ ion, as is also observed in the study of rigid dehydrated H12-A zeolite framework, but the ranges of σ are different for the two structures. It is also found that some of the H+ ions exchanged their sites without changing the number of H+ ions at each site. The agreement between experimental and calculated structural parameters for non-rigid dehydrated H12-A zeolite is generally quite good. The calculated IR spectrum by Fourier transform of the total dipole moment auto-correlation function shows two major peaks, one around 2700 cm-1 and the other around 7000 cm-1. The former appears in the calculated IR spectra of non-rigid zeolite-A framework only system and the latter remains unexplained except, perhaps, as an indication of a new formation of a vibrational mode of the framework due to the adsorption of the H+ ions.

• Korean Journal of Soil Science and Fertilizer
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• v.36 no.6
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• pp.357-366
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• 2003

This study was conducted to develop n convenient and efficient granular type absorbent with high CEC from powdery zeolite, which is a waste produced while crushing the natural zeolite of Korea to get a particular particle size. The change of mineralogical characteristics during hydrothermal alternation of natural zeolite to Na-P zeolite in alkaline solution at various reaction times was determined by X-ray diffraction (XRD), scanning electron microscopy (SEM), and total elemental analysis. The columnar aggregate of Na-P Zeolite was produced by calcinating the natural zeolite-charcoal extrudates of about 3 mm diameter. In 24 hours reaction, clinoptillonite, mordenite and feldspar in natural zeolite were disappeared by 3 N NaOH treatment, while Na-P Zeolite with spherical granular structure was newly detected by XRD. As increasing reaction time, Si/Al ratio in remaining solution was deceased. The CEC of the synthesized material increased more than 2 times compared with that of natural zeolite, although the diameter of Na-P zeolite were rather increased.

• Journal of the Korean institute of surface engineering
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• v.26 no.6
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• pp.334-340
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• 1993

The physico-chemical properties and characteristics after thermal treatment of natural zeolite from Kampo area were studied. The physico-chemical properties of natural zeolite were studied by investigating chemical composition, x-ray diffraction pattern(XRD), scanning electronic microscope(SEM), infrared spec-tra(IR), thermal analysis(TA), and cation exchange capacity(C.E.C.), and the characteristics of natural zeo-lite after thermal treatment from $400^{\circ}C$ to $900^{\circ}C$ were compared with the natural zeolite. This study showed that clinoptilolite was the predominant costituent in natural zeolite, and the natural zeolite contained a little amount of quartz and feldspar as impurities. Zeolite mineral was seen to develop slowly by the natural alternation of volcanic ash considering the almost amorphous crystal structure. The more temperature of ther-mal treatment increased, the more adsorption capacity decreased, considering the fact that the hydroxy peak diminished on infrared spectra, and that cation exchange capacity also decreased distinctly.

• Bulletin of the Korean Chemical Society
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• v.34 no.6
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• pp.1693-1697
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• 2013

This study develops a novel method to remove the free cations created during the synthesis of ionic liquid. The cations are removed from the ionic liquid by size-selective adsorption onto chemically surface-modified Zeolite. The porous crystal nano-structure of Zeolite has several electron-rich Al sites to attract cations. While large cations of an ionic liquid cannot access the Zeolite nano-structure, small cations like $Na^+$ have ready access and are adsorbed. This study confirms that: $Na^+$ can be removed from ionic liquid effectively using Zeolite; and, in contrast to the conventional and extensively applied ion exchange resin method or solvent extraction methods, this can be done without changing the nature of the ionic liquid.

• Korean Journal of Soil Science and Fertilizer
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• v.31 no.4
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• pp.334-341
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• 1998

Sodium hydroxide concentrations were adjusted to 2.0, 2.5, 3.0 and 3.5M by dissolution in seawater. The fly ash was hydrothermally reacted with sodium hydroxide solutions (1:8, W:V) at $100^{\circ}C$ under the closed system. X-ray diffractogram proved that Na-P1 type zeolite was produced from bituminous coal fly ash. It is different from the X-ray of artificial zeolite produced by using sodium hydroxide solution dissolving in distilled water. Solid sieve structure was developed well by hydrothermal reaction with the ash and 3.0M sodium hydroxide. However chinks were observed in the structure of the product by 3.5M sodium hydroxide. CEC of the artificial zeolite was $244.5cmol^+\;kg^{-1}$ at 2.0M, 259.8 at 3.0M, 263.4 at 3.0M and 179.8 at 3.5M after 24 hours hydrothermal reaction; Artificial zeolite having high CEC, above $244.5cmol^+\;kg^{-1}$ could produce by using lower concentration of NaOH prepared in seawater than other production methods.

• Journal of Environmental Science International
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• v.31 no.10
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• pp.833-844
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• 2022

A zeolite material with a Si/Al molar ratio of 1.2 was synthesized by changing the NaOH/CFA ratio of coal fly ash (CFA) via a fusion/hydrothermal reaction in the HD thermal power plant. The change in the crystal structure of the zeolite was confirmed using XRD and SEM, and the ammonia adsorption capacities of the synthesized zeolitic materials and a commercial zeolite (Na-A zeolite) were analyzed via an ammonia temperature-programmed desorption (NH₃-TPD) process. The SEM and XRD results revealed out the zeolitic materials from the coal fly ash maintained a hexagonal Linde-type crystal structure similar to that of Na-A zeolite, but the crystallinity of the synthesized zeolitic material was reduced due to impurities. The NH₃ adsorption capacity, determined from the NH₃-TPD analysis of was 1.122 mmol/g of the synthesized zeolitic material, which was lower than the NH₃ adsorption capacity of the Na-A zeolite.