• Title/Summary/Keyword: Zeolite-Structure

Search Result 217, Processing Time 0.024 seconds

Remarkable Structure Relaxation of Zeolite Windows in Rb₃- and K₃-A Crystal Structures of $M_3nA_{9-x}H_xSi_{12}Al_{12}O_{48}$ where M-Rb or K and x=1 or 0

  • 박종삼;윤명숙;임우택;김명철;서숭혁;허남호
    • Bulletin of the Korean Chemical Society
    • /
    • v.16 no.10
    • /
    • pp.923-929
    • /
    • 1995
  • Four crystal structures of M3-A (M3Na9-xHx-A, M=Rb or K and x=1 or 0), Rb3Na8H-A(a=12.228(1) Å and R1=0.046), Rb3Na9-A (a=12.258(3) Å and R1=0.058), K3Na8H-A (a=12.257(3) Å and R1=0.048) and K3Na9-A (a=12.257(3) Å and R1=0.052), have been determined by single crystal x-ray diffraction technique in the cubic space group Pm3^m at 21 ℃. In all structures, each unit cell contained three M+ ions all located at one crystallographically distinct position on 8-rings. Rb+ ions are 3.12 and 3.21 Å away respectively from O(1) and O(2) oxygens, about 0.40 Å away from the centers of the 8-rings, and K+ ions are 2.87 and 2.81 Å apart from the corresponding oxygens. These distances are the shortest ones among those previously found for the corresoponding ones. Eight 6-rings per unit cell are occupied by eight Na+ ions, each with a distance of 2.31 Å to three O(3) oxygens. The twelfth cation per unit cell is found as Na+ opposite 4-ring in the large cavities of M3Na9-A and assumed to be H+ for M3Na8H-A. With these noble non-framework cationic arrangements, larger M+ ions preferably on all larger 8-rings and the compact Na+ ions on all 6-rings, the bond angles in the 8-rings of M3-A, 145.1 and 161.0 respectively for (Si,Al)-O(1)-(Si,Al) and (Si,Al)-O(2)-(Si,Al), turned out to be remarkably stable and smaller, by more than 12 to 17°, than the corresponding angles found in the crystal structures of zeolites A with high concentration of M+ ions. It is to achieve these remarkably relaxed 8-rings, the main windows for the passage of gas molecules, with simultaneously maximized cavity volumes that M3-A have been selected as one of the efficient zeolite A systems for gas encapsulation.

Crystal Structures of Fully Dehydrated Zeolite $Cd_6-A$ and of $Rb_{13.5}-A$, the Product of its Reaction with Rubidium, Containing Cationic Clusters

  • Jang, Se-Bok;Kim, Yang;Seff, Karl
    • Bulletin of the Korean Chemical Society
    • /
    • v.15 no.3
    • /
    • pp.236-241
    • /
    • 1994
  • The crystal structures of $Cd_6-A$ evacuated at $2{\times}10^{-6}$ Torr and 750$^{\circ}$C (a=12.216(l) ${\AA}$), and of the product of its reaction with Rb vapor (a= 12.187(l) ${\AA}$), have been determined by single-crystal x-ray diffraction techniques in the cubic space group Pm$\bar{3}$m at 21(l)$^{\circ}$C. Their structures were refined to the final error indices, $R_1$=0.055 and $R_2$=0.067 with 191 reflections, and $R_1$=0.066 and $R_2$=0.049 with 90 reflections, respectively, for which I>3${\sigma}$(I). In dehydrated $Cd_6-A$, six $Cd^{2+}$ ions are found at two different threefold-axis sites near six-oxygen ring centers. Four $Cd^{2+}$ ions are recessed 0.50 ${\AA}$ into the sodalite cavity from the (111) plane at O(3), and the other two extend 0.28 ${\AA}$ into the large cavity from this plane. Treatment at 250 $^{\circ}$C with 0.1 Torr of Rb vapor reduces all $Cd^{2+}$ ions to give $Rb_{13.5^-}$A. Rb species are found at three crystallographic sites: three $Rb^+$ ions lie at eight-oxygen-ring centers, filling that position, and ca. 10.5 $Rb^+$ ions lie on threefold axes, 8.0 in the large cavity and 2.5 in the sodalite cavity. In this structure, ca. 1.5 Rb species more than the 12 $Rb^+$ ions needed to balance the anionic charge of zeolite framework are found, indicating that sorption of $Rb^0$ has occurred. The occupancies observed can be most simply explained by two "unit cell" compositions, $Rb_{12^-}A{\cdot}Rb$ and $Rb_{12^-}A{\cdot}2Rb$, of approximately equal population. In sodalite cavities, $Rb_{12^-}A{\cdot}Rb$ would have a $(Rb_2)^+$ cluster and $Rb_{12^-}A{\cdot}2Rb$ would have a triangular $(Rb_3)^+$ cluster. Each of the atoms of these clusters must bind further through a six-oxygen ring to a large cavity $Rb^+$ to give $(Rb_4)^{3+}$ (linear) and $(Rb_6)^{4+}$ (trigonal). Other unit-cell compositions and other cationic cluster compositions such as $(Rb_8)^{n+}$ may exist.

Two Crystal Structures of $Tl^+$ and $Zn^{2+}$ Exchanged Zeolite A, $Tl_{12-2x}Zn_x-A$ (x=4.3 and 3.25)

  • Mi Suk Jeong;Seong Hwan Song;Young Wook Han;Yang Kim
    • Bulletin of the Korean Chemical Society
    • /
    • v.11 no.2
    • /
    • pp.150-154
    • /
    • 1990
  • The structures of $Tl_{12-2x}Zn_x-A$ (x = 4.3 and 3.25), vacuum dehydrated zeolite A with all $Na^+$ ions replaced by $Tl^+$ and $Zn^{2+}$ as indicated, have been determined by single-crystal X-ray diffraction techniques in cubic space group Pm3m at 21(1) $^{\circ}C$ (a=12.100(2) ${\AA}$ for $Tl_{3.4}Zn_{4.3}-A$ and a=12.092(2) ${\AA}$ for $Tl_{5.5}Zn_{3.25}-A$). The crystals of $Tl_{3.4}Zn_{4.3}-A$ and $Tl_{5.5}Zn_{3.25}-A$ were prepared by flow method using exchange solutions in which mole ratios of $TlNO_3$,/TEX> and $Zn(NO_3)_2$ were 1:50 and 1:1, respectively, with total concentration of 0.05 M. The structures of the dehydrated $Tl_{3.4}Zn_{4.3}-A$ and $Tl_{5.5}Zn_{3.25}-A$ were refined to yield the final error indices $R_1$ = 0.075 and $R_2$ = 0.075 with 236 reflections, and $R_1$ = 0.057 and $R_2$ = 0.064 with 202 reflections, respectively, for which I > 3$\sigma$(I). Both structures indicate that Zn(II) ions are coordinated by three framework oxygens: the Zn(II) to O(3) distances are 2.08(1) ${\AA}$ for $Tl_{3.4}Zn_{4.3}-A$ and 2.07(1) ${\AA}$ for $Tl_{5.5}Zn_{3.25}-A$, respectively. In each structure, the angle subtended at Zn(II), O(3)-Zn(II)-O(3) is 119.9(3)$^{\circ}$ for $Tl_{3.4}Zn_{4.3}-A$, and 120.0(3)$^{\circ}$ for $Tl_{5.5}Zn_{3.25}-A$, respectively, close to the idealized trigonal-planar value. Zn(II) ions prefer to 6-ring sites. $Tl^+$ ions do not have any preference to a particular site but occupy simultaneously both at the 6-ring sites and 8-ring sites.

Synthesis of Single Crystalline Analcime and Its Single-crystal Structure, |Na0.94(H2O)|[Si2.06Al0.94O6]-ANA: Determination of Cation Sites, Water Positions, and Si/Al Ratios (결정성 아날심(|Na0.94(H2O)|[Si2.06Al0.94O6]-ANA)의 합성 및 단결정구조: 양이온 및 물 분자의 위치, Si/Al 비의 결정)

  • Seo, Sung-Man;Suh, Jeong-Min;Ko, Seong-Oon;Lim, Woo-Taik
    • Journal of the Korean Chemical Society
    • /
    • v.55 no.4
    • /
    • pp.570-574
    • /
    • 2011
  • Large colorless single crystals of analcime with diameters up to 0.20 mm have been synthesized from gels with the composition of $3.00SiO_2$ : $1.50NaAlO_2$ : 8.02NaOH : $454H_2O$ : 5.00TEA. The fully $Na^+$-exchanged analcime have been prepared with aqueous 0.1 M NaCl (pH adjusted from 6 to 11 by dropwise addition of NaOH). The single-crystal structure of hydrated $|Na_{0.94}(H_2O)|[Si_{2.06}Al_{0.94}O_6]$-ANA per unit cell, a=13.703(3) ${\AA}$, has been determined by single-crystal X-ray diffraction technique in the orthorhombic space group Ibca at 294 K. The structure was refined using all intenties to the final error indices (using only the 1,446 reflections for which $F_o$ > $4{\sigma}(F_o))R_1/wR_2$ = 0.054/0.143. About 15 $Na^+$ ions are located at three nonequivalent positions and octahedrally coordinated. The chemical composition is $Na_{0.94}(H_2O)Si_{2.06}Al_{0.94}O_6$. The Si/Al ratio of synthetic analcime is 2.19 determined by the occupations of cations, 14.79, in the single-crystal determination work.

Crystal Structure of Xenon Encapsulate within Na-A Zeolite

  • Im, U Taek;Park, Man;Heo, Nam Ho
    • Bulletin of the Korean Chemical Society
    • /
    • v.21 no.1
    • /
    • pp.75-80
    • /
    • 2000
  • The positions of Xe atoms encapsulated in the molecular-dimensioned cavities of fully dehydrated Na-A have been determined. Na-A was exposed to 1050atm of xenon gas at 400 $^{\circ}C$ for seven days, followed by cooling at pressure to encapsulate Xe atoms. The resulting crystal structure of Na-A(7Xe) (a = 12.249(1) $\AA$, $R_1$ = 0.065, and $R_2$ = 0.066) were determined by single-crystal X-ray diffraction techniques in the cubic space group Pm3m at 21(1) $^{\circ}C$ and 1 atm. In the crystal structure of Na-A(7Xe), seven Xe atoms per unit cell are distributed over four crystallographically distinct positions: one Xe atom at Xe(1) lies at the center of the sodalite unit, two Xe atoms at Xe(4) are found opposite four-rings in the large cavity, and four Xe atoms, two at Xe(2) and others at Xe(3), respectively, occupy positions opposite and between eight- and six-rings in the large cavity. Relatively strong interactions of Xe atoms at Xe(2) and Xe(3) with $Na^+$ ions of four-, eight-, and six-rings are observed:Na(1)-Xe(2) = 3.09(6), Na(2)-Xe(3) = 3.11(2), and Na(3)-Xe(2) = 3.37(8) $\AA$. In each sodalite unit, one Xe atom is located at its center. In each large cavity, six Xe atoms are found, forming a distorted octahedral arrangement with four Xe atoms, at equatorial positions (each two at Xe(2) and Xe(3)) and the other two at axial positions (at Xe(4)). With various reasonable distances and angles, the existence of $(Xe)_6$ cluster is proposed (Xe(2)-Xe(3) = 4.78(6) and 4.94(7), Xe(2)-Xe(4) = 4.71(6) and 5.06(6), Xe(3)-Xe(4) = 4.11(3) and 5.32(4) $\AA$, Xe(2)-Xe(3)-Xe(2) = 93(1), Xe(3)-Xe(2)-Xe(3) = 87(1), Xe(2)-Xe(4)-Xe(2) = 91(4), Xe(2)-Xe(4)-Xe(3) = 55(2), 59(1), 61(1), and 68(1), and Xe(3)-Xe(4)-Xe(3) = 89($^{\circ}1$)). These arrangements of the encapsulated Xe atoms in the large cavity are stabilized by alternating dipoles induced on Xe(2), Xe(3), and Xe(4) by eight- and six-ring $Na^+$ ions as well as four-ring oxygens, respectively.

Synthesis of Zeolites ZSM-5 and ZSM-48 from Gasification Ashes of Agricultural Wastes

  • Lin, Kuen-Song;Lin, Wen-Chiang;Chitsan Lin
    • Proceedings of the IEEK Conference
    • /
    • 2001.10a
    • /
    • pp.610-615
    • /
    • 2001
  • Over 800 thousand tons per year (TPY) agricultural biowastes, such as sugar cane bagasse, sugarcane leaf, rice straw, rice husk and corn leaf, are produced in Taiwan. These biomasses are the major types of agricultural wastes and are abundantly available. However, these biowastes cause disposal and landfill problems. Ossification ashes of the agricultural biowastes containing 70-95 % amorphous silica would make the utilization system of agricultural biowaste ashes become highly economically and environmentally attractive. Experimentally, high crystallinity (99%$^{+}$) zeolites ZSM-5 and ZSM-48 synthesized from the reaction mixtures containing a silica source from ashes of these biowastes gasification were investigated. Tetrapropylammonium bromide (TPABr) and 1,6-diamino-hexane (C$_{6}$ DN) were used as structure-directing agents in syntheses of ZSM-5 and ZSM-48, respectively. X-ray powder diffraction (XRD) and scanning electron microscopy/energy dispersive spectroscopy (SEM/EDX) data indicated that ZSM-5 or ZSM-48 with a high crystallinity can be obtained within 48 hours of crystallization in the high pressure (15-20 atm) autoclave at 393-473 K. The Si/Al ratios of synthetic zeolite products were determined by X-ray fluorescence (XRF) and induced couple plasma/mass spectroscopy (ICP/MS). It was observed that the ZSM-5 crystals a.e composed of hexagonal rod-shaped crystals with typically 8-13 пm in size by SEM. In addition, ZSM-48 crystalline materials are composed of spherical aggregates of needle-shaped or rod-like crystals with typically 2-3 пm in diameter and 6-8 пm in length.h.

  • PDF

A Study of Design and Implementation of Cultural Property Contents Using Augmented Reality (증강현실을 이용한 문화재 콘텐츠 설계 및 구현 연구)

  • Suh, Donghee
    • Journal of Industrial Convergence
    • /
    • v.17 no.4
    • /
    • pp.15-20
    • /
    • 2019
  • Augmented reality is used in various fields such as culture, education, military, medical. This is a method of recognizing information of an augmented object on the camera. Exhibitions and educational contents for children are already produced in various ways. This research showed the developed contents deliver cultural property information using augmented reality. 'Galgibi AR' and 'Jang Young-sil's Invention AR' allow you to experience cultural assets up close. 'Galgibi AR' is the experience content in the form of 3D blocks. It makes to understand the structure of the zeolite, Galgibi. 'Jang Young-sil's Invention AR' make you to watch out four objects in detail by zooming in, zooming out and rotating. It can also take pictures with the inventions. Both contents implement what we want to deliver accurately through simple content. They increase the enjoyment of cultural heritage through experience contents. This research addressed to help the cultural property information spread to the public by using Augmented Reality.

Catalytic Cracking of Triphenylmethane on Alumina Mixed with Mordenite Formed Secondary Pore (2차세공이 형성된 모더나이트와 알루미나를 혼합한 촉매상에서 Triphenylmethane의 분해반응)

  • Lee, Kyong-Hwan;Choi, Jun-Woo;Ha, Baik-Hyon
    • Applied Chemistry for Engineering
    • /
    • v.8 no.6
    • /
    • pp.1048-1053
    • /
    • 1997
  • Modified mordenites by HF treatement, which have different $SiO_2/Al_2O_3$ ratio, and those mixed with $\gamma$-alumina are prepared and used for catalytic cracking of triphenylmethane(TPM) in micro-activity tester(MAT). Dealumination of mordenites decreased the acid content but developed secondary mesopores. The conversion and the selectivity of benzene over modified mordenites with the mesopores were increased. However, for the further dealuminated mordenites, they decreased due to the destruction of pore structure and low acid amount. Accordingly, the maximum cracking activity and the maximum selectivity of benzene were obtained about 17 $SiO_2/Al_2O_3$ ratio of modified mordenites. The modified mordenites mixed with alumina enhanced the cracking activity of TPM compared with the pure mordenites. It can be explained that TPM is cracked at active sites with in large pores of alumina firstly and further cracked into small molecules in zeolite pores as step mechanism of catalytic cracking.

  • PDF

Synthesis and Characterization of Fe-Co/mesoHZSM-5 : Effect of Desilication Agent and Iron-cobalt Composition

  • Jimmy, Jimmy;Roesyadi, Achmad;Suprapto, Suprapto;Kurniawansyah, Firman
    • Korean Chemical Engineering Research
    • /
    • v.58 no.1
    • /
    • pp.163-169
    • /
    • 2020
  • Synthesis of Fe-Co/meso-HZSM5 catalyst, intended to be applied in Fischer-Tropsch (FT) reaction was investigated. The study emphasized the effect of desilication agents, NaOH and KOH, on the catalyst materials properties. Impregnation composition of active metal (Fe and Co) was also examined. HZSM-5, converted from ammonium ZSM-5 through calcination, was treated with NaOH and KOH for desilication, followed by impregnation with 10% metal loading. Fe composition in the initial mixture was varied at 10-50% from total composition. After impregnation, reduction was applied by flowing hydrogen gas at 400 ℃ for 10 hours. The use of KOH solution induced greater mesoporous volumes; however, it had a detrimental effect on zeolite crystal structure. NaOH solutions, on the other hand, increased mesopore area as high as 100%, indicated from surface area increase from 266.28 m2/g of HZSM-5, to 526.03 m2/g of NaOH-desilicated HZSM-5. In addition, the application of NaOH solution increased pore volume from 0.14 cc/g to 0.486 cc/g. Further, more Fe-Co alloys and less oxide of iron (Fe2O3) as well cobalt (Co3O4) had been commonly observed in the produced catalysts. The largest Fe-Co alloys could be found in 50Fe-50Co/HZSM-5

Mineralogical Characteristics of Stellerite associated with the Yucheon Granite, Cheongdo, Korea (경북 청도군 유천화강암 내 제올라이트 광물군 스텔러라이트의 산출과 광물학적 특징)

  • Choo, Chang-Oh;Lee, Jin-Kook;Cho, Hyen-Goo
    • Journal of the Mineralogical Society of Korea
    • /
    • v.21 no.4
    • /
    • pp.365-372
    • /
    • 2008
  • Because stellerite, belonging to the zeolite group, is much less common mineral than any other minerals in Korea, little mineralogical study has been done so far. Stellerite occurs on open surfaces of fractured zones in the Yucheon Granite associated with flowery tourmaline, Chongdo, Gyeongsangbuk-do. Stellerite with $3{\sim}4\;mm$ length and $1{\sim}2\;mm$ width is characterized by an equigranular and euhedral form. Flat and elongated columnar crystals show well developed (010) face. Stellerite shows an intensive alteration process, possibly due to weathering or devitrification, as evidenced by microtextural analysis of Scanning Electron Microscope (SEM). Water loss occurs at $161^{\circ}C$ while dehydroxylation occurs at $467^{\circ}C$ causing decomposition of the structure afterward. From its textural observation, it is concluded that stellerite formed rapidly at small undercooling, precipitated from residual melt during the late stage with relatively constant chemistry.