• Bulletin of the Korean Chemical Society
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• v.20 no.7
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• pp.791-795
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• 1999

The crystal structure of a cyclopropane sorption complex of dehydrated fully Ca (2+) -exchanged zeolite X, Ca46Si100Al92O384· 30C3H6 (a = 24.988(4) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1)℃. The crystal was prepared by ion exchange in a flowing stream of 0.05M aqueous Ca(NO3)2 for four days, followed by dehydration at 460℃ and 2×10 (-6) Torr for two days, and exposure to 100 Torr of cyclopropane gas at 21(1)℃. The structure was determined in this atmosphere and refined to the final error indices R1 = 0.068 and R2 = 0.082, with 373 reflections for which I > 3σ (I). In this structure, Ca 2+ ions are located at two crystallographic sites. Sixteen Ca 2+ ions fill the octahedral sites I at the centers of the hexagonal prisms (Ca-O = 2.412(9)Å). The remaining 30 Ca 2+ ions are at sites Ⅱ; each extends 0.46Å into the supercage (an increase of 0.16Å upon C3H6 sorption) where it coordinates to three trigonally arranged framework oxygens at 2.311(8)Å. Each of the 30 cyclopropane molecules was found to complex to Ca 2+ ions at site II by the induced dipole interaction (Ca-C = 2.99(4)Å). All carbon atoms in each cyclopropane molecule are equivalent and equidistant from Ca 2+ ions at site II with which they are associated.

• Korean Chemical Engineering Research
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• v.45 no.2
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• pp.160-165
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• 2007

The synthesis and the characterization of Low Silica X (LSX) zeolite for nitrogen adsorption have been studied. The performance of LSX zeolite for nitrogen adsorption was compared to that of the commercial zeolite. The $Na_2O/(Na_2O+K_2O)$ ratio in the gel and the crystallization time were fixed as the synthetic factor. The LSX zeolite was formed at the $Na_2O/(Na_2O+K_2O)$ ratio of 0.75. The formation of LSX zeolite was confirmed by XRD and SEM. The Si/Al ratio was investigated by using XRF and FT-IR. The synthesized LSX zeolite showed a lower Si/Al ratio than the NaY and NaX zeolites although they have a same faujasite structure. The Si/Al ratio of the LSX zeolite converged close to 1. 1A (Li, Na, K) and 2A (Mg, Ca, Ba) group elements were ion-exchanged to the LSX zeolite. As the charge density of cation rises, the amount of nitrogen adsorbed increased. $Li^+$ ion-exchanged LSX zeolite showed the highest nitrogen adsorption weight. When the Li/Al ratio was over 0.65, nitrogen adsorption increased remarkably. $Li^+$ ions located on the supercage (site III, III') in the LSX zeolite played a role as nitrogen adsorption sites. When the $Ca^{2+}$ ions were added to the LiLSX zeolite by ion-exchange method, the performance for nitrogen adsorption increased more. The performance for the nitrogen adsorption was the highest at the Ca/Al ratio of 0.26. Nitrogen adsorption capacity of LiCaLSX (Ca/Al=0.26) zeolite was superior to the commercial NaX zeolite.

• Bulletin of the Korean Chemical Society
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• v.23 no.12
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• pp.1759-1764
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• 2002

Two crystal structures of dehydrated $Ag^+-andTl^+$-exchanged zeolite X$Ag_{27}Tl_{65-}X\;and\;Ag_{23}Tl_{69-}X$have been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21(1) $^{\circ}C(a=24.758(4)\AAa=24.947(4)$, ${\AA}respectively).$, Their structures were refined to the final error indices $R_1$=0.055 and $wR_2$=0.057 with 375 reflections, and $R_1$=0.057 and $wR_2$=0.057 with 235 reflections, respectively, for which I > $3\sigma(I).$ In the structure of $Ag_{27}Tl_{65-}X,\;27\;Ag^+$ ions were found at two crystallographic sites: 15$Ag^+$ ions at site I at the center of the hexagonal prism and the remaining 12$Ag^+$ ions at site II' in the sodalite cavity. Sixty-five $Tl^+$ ions were located at three crystallographic sites: 20$Tl^+$ ions at site II opposite single six-rings in the supercage, 18$Tl^+$ ions at site I' in the sodalite cavity opposite the D6Rs, and the remaining 27$Tl^+$ ions at site III' in the supercage. In the structure of $Ag_{23}Tl_{69-}X$, 23$Ag^+$ ions were found at two crystallographic sites: 15 at site I and 8 at site II'. Sixty-nine $Tl^+$ ions are found at four crystallographic sites: 24 at site II, 17 at stie I', and the remaining 28 at two III' sites with occupancies of 22 and 6.

• Bulletin of the Korean Chemical Society
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• v.7 no.3
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• pp.190-193
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• 1986

The structure of partially $Ag^+$-exchanged zeolite 4A, $Ag_{7.6}Na_{4.4}-A$, vacuum dehydrated at $370^{\circ}C$, has been determined by single-crystal x-ray diffraction techniques in the cubic space group, Pm3m (a = 12.311(1)${\AA}$) at $24(1)^{\circ}}C$. The structure was refined to the final error indices $R_1$ = $R_2$ (weighted) = 0.064 using 266 independent reflections for which $I_0$>$3{\sigma}(I_0)$. Three $Na^+$ ions occupy the 3 8-ring sites, and the remaining ions, 1.4 $Na^+$ and 6.6 $Ag^+$, fill the 8 6-ring sites; each $Ag^+$ ion is nearly in the [111] plane of its 3 O(3) ligands, and each $Na^+$ ion is 0.9${\AA}$ from its corresponding plane, on the large-cavity side. One reduced silver atom per unit cell was found inside the sodalite unit. It was presumably formed from the reduction of a $Ag^+$ ion by an oxide ion of a residual water molecule or of the zeolite framework. It may be present as a hexasilver cluster in 1/6 of the sodalite units, or, most attractively among several alternatives, as an isolated Ag atom coordinated to 4 Ag ions in each sodalite unit to give $(Ag_5)^{4+}$, symmetry 4mm.

• Journal of Korean Society of Environmental Engineers
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• v.27 no.8
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• pp.807-812
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• 2005

This study is to investigate the correlation of pore structures of Zeolite 5As modified with acid and their adsorption capacity of toluene vapor using the dynamic adsorption method. The experimental results showed that the modification with acid allowed more micropores and enlarged the existing pores. Toluene vapor was mainly adsorbed on the surface of pores over $15\;{\AA}$ in diameter. The equilibrium adsorption capacity of toluene vapor of the modified Zeolite 5As was in the range of $15{\sim}70\;mg/g$ and the equilibrium adsorption capacity was increased to f times than that of the Zeolite 5A. The correlation between the total cumulative surface area and the equilibrium adsorption capacity was hard to say linear. The correlation in diameter between the cumulative surface area in the range of over $15\;{\AA}$ and the equilibrium adsorption capacity gate the highest correlation factor of 0.997.

• Bulletin of the Korean Chemical Society
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• v.28 no.4
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• pp.567-573
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• 2007

The crystal structure of ZnI2 molecule synthesized in zeolite A (LTA) has been studied by single-crystal X-ray diffraction techniques. A single crystal of |Zn6|[Si12Al12O48]-LTA, synthesized by the dynamic ion-exchange of |Na12|[Si12Al12O48]-LTA with aqueous 0.05 M Zn(NO3)2 and washed with deionized water, was placed in a stream of flowing 0.05 M KI in CH3OH at 294 K for four days. The resulting crystal structure of the product (|K6Zn3(KI)3(ZnI2)0.5|[Si12Al12O48]-LTA, a = 12.1690(10) A) was determined at 294 K by single-crystal X-ray diffraction in the space group Pm3m. It was refined with all measured reflections to the final error index R1 = 0.078 for 431 reflections which Fo > 4σ (Fo). At four crystallographically distinct positions, 3.5 Zn2+ and nine K+ ions per unit cell are found: three Zn2+ and five K+ ions lie on the 3-fold axes opposite 6-rings in the large cavity, two K+ ions are off the plane of the 8-rings, two K+ ions are recessed deeply off the plane of the 8-rings, and the remaining a half Zn2+ ion lie on the 3-fold axes opposite 6-rings in the sodalite cavity. A half Zn2+ ion and an I- ion per unit cell are found in the sodalite units, indicating the formation of a ZnI2 molecule in 50% of the sodalite cavities. Each ZnI2 (Zn-I = 3.35(5) A) is held in place by the coordination of its one Zn2+ ion to the zeolite framework oxygens and by the coordination of its two I- ions to K+ ions through 6-rings (I-K = 3.33(8) A). Three additional I- ions per unit cell are found opposite a 4-ring in the large cavity and form a K3I2+ and two K2ZnI3+ ionic clusters, respectively.

• Journal of Energy Engineering
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• v.23 no.4
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• pp.160-168
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• 2014

In the present study, water vapor adsorption was evaluated at 298.15K for 9 different zeolites having LTA, FAU, CHA, and RHO frameworks, and then effect of framework type, Si/Al molar ratio, and alkali ion type on water up-take was investigated. Zeolites showed water up-takes which were increased in an order of $RHO<CHA{\approx}LTA<FAU$ frameworks. NaY zeolite having FAU framework showed a water up-take of 406 mg/g at p/po=0.5. The up-take was a little larger than that of 13X zeolite with the same framework. Among LTA zeolites, Ca-type 5A zeolite showed the highest water adsorption (282 mg/g at p/po=0.5) which could be explained by the large pore volume. Both CHA zeolite with a Si/Al molar ratio of 2.35 and RHO zeolite with a Si/Al molar ratio of 3.56 showed considerable water up-takes, even though the Si/Al molar ratio was much larger than that of LTA zeolite. In the present study, it is announced that in addition to FAU and LTA zeolites, CHA and RHO zeolites can be a promising dehumidification adsorbent.

• The Journal of Natural Sciences
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• v.8 no.2
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• pp.119-127
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• 1996

The effect of sodium hydroxide treatment on some physicochemical properties of zeolite mordenite mineral was studied with chemical analyses, powder X-ray diffraction, thermal analyses, infrared analysis, measurement of carbon dioxide adsorption and gas chromatography. Mordenite mineral from tuffaceous rocks in Yeongil and Wolsung area was used as a starting material and treated with 0.1-5N NaOH aqueous solution at about $95^{\circ}C$ in the water bath for three hours.At the concentration of sodium hydroxide below 0.5N, all chemical compositions in the tuff were virtually insoluble and the mordenite structure did not change. At the concentration above 1N, the chemical compositions such as silica, alumina, etc., were dissolved. The dissolution ratio of silica was lager than that of alumina, and the ratio of silica to alumina in the tuff decreased sharply in the concentration range of 2 to 3N. Intensity of X-ray diffraction peak of mordenite (202) plane and the adsorbed amount of carbon dioxide also decreased with the increasing concentration of sodium hydroxide above 1N. These decreases corresponded to the degree of mordenite structure collapsed.The separation of gas chromatography of nitrogen, oxygen and carbon monoxide was not affected by the sodium hydroxide treatment, but elution peaks of methane and krypton tended to be broadened and their retention time was shortened. The elution peaks of both methane and krypton tended to be overlapped with those of nitrogen and oxygen.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.7 no.3
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• pp.437-448
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• 1997

The substitution of vanadium atoms into the zeolite framework structure could be applied to the large pore zeolites by means of modified treatments as well as direct hydrothermal synthesis. The incorporation of V into the zeolite framework was demonstrated by instrumental analysis techniques. The result of X-ray diffraction analysis showed that the unit cell parameters increased after incorporation of vanadium into the zeolitic lattice, indicating that the replacement of Si by the larger V atoms could cause a slight expansion in the unit cell. In addition, the results of FTIR, Uv-Vis and Si-MAS-NMR spectra strongly support the incorporation of V into the zeolite framework. Acid leaching of aluminum in zeolites can provide a vacant position in the lattice for the insertion of vansdium by secondary hydrothermal treatment.

• Journal of the Korean Applied Science and Technology
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• v.30 no.3
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• pp.494-503
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• 2013

In this study, $CO_2$ adsorbent was produced for minimizing energy loss due to ventilation within the building. For improved selectivity about low concentration of $CO_2$ in multiple-use facilities, the ball type adsorbent was modified from a commercial zeolite, alumina, alkali metals and activated carbon with mixing LiOH, binder, and $H_2O$. We measured specific surface area, pore characteristic, and crystal structure of the modified adsorbent. Effects of alkalization on the absorptive properties of the adsorbents were investigated. Continuous column tests (2,000 ppm) and batch chamber tests ($4m^3$, 5,000ppm) showed that the modified adsorbent indicated about the selectivity of $CO_2$ more than 9.7% (0.613 mmol/g) compared with ordinary adsorbents and $CO_2$ removal efficiency of 88.8% within l hour, respectively. It was estimated that the modified adsorbent was applicable to indoor environments.