• Bulletin of the Korean Chemical Society
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• v.19 no.11
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• pp.1222-1227
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• 1998

The crystal structure of a benzene sorption complex of fully dehydrated Cd2+-exchanged zeolite X, Cd46Si100Al92O384·43C6H6 (a=24.880(6) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd3 at 21 ℃. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous Cd(NO3)2 for 3 d, followed by dehydration at 400 ℃ and 2 x 10-6 Torr for 2 d, followed by exposure to about 92 Torr of benzene vapor at 22 ℃. The structure was determined in this atmosphere and refined to the final error indices R1=0.054 and Rw=0.066 with 561 reflections for which I > 3σ(I). In this structure, Cd2+ ions are found at four crystallographic sites: eleven Cd2+ ions are at site 1, at the centers of the double six-oxygen rings; six Cd2+ ions lie at site I', in the sodalite cavity opposite to the double six-oxygen rings; and the remaining 29 Cd2+ ions are found at two nonequivalent threefold axes of unit cell, sites Ⅱ' (in the sodalite cavity ) and site Ⅱ (in the supercage) with occupancies of 2 and 27 ions, respectively. Each of these Cd2+ ions coordinates to three framework oxylkens, either at 2.173(13) or 2.224(10) Å, respectively, and extends 0.37 Å into the sodalite unit or 0.60 Å into the supercage from the plane of the three oxygens to which it is bound. The benzene molecules are found at two distinct sites within the supercages. Twenty-seven benzenes lie on threefold axes in the large cavities where they interact facially with the latter 27 site-Ⅱ Cd2+ ions (Cd2+-benzene center=2.72 Å; occupancy=27 molecules/32 sites). The remaining sixteen benzene molecules are found in 12ring planes; occupancy=16 molecules/16 sites. Each hydrogen of these sixteen benzenes is ca. 2.8/3.0 Å from three 12-ring oxygens where each is stabilized by multiple weak electrostatic and van der Waals interactions with framework oxygens.

• Bulletin of the Korean Chemical Society
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• v.16 no.6
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• pp.539-542
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• 1995

The crystal structure of K92-X (K92Al92Si100O384), a=25.128(1) Å, dehydrated at 360 ℃ and 2X 10-6 Torr, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd&bar{3} at 21(1) ℃. The structure was refined to the final error indices R1=0.044 and Rw=0.039 with 242 reflections for which I<3σ(I). In this structure, ninety-two K+ ions are located at the five different crystallographic sites. Sixteen K+ ions are located at the centers of the double six rings (site I; K(1)-O(3)=2.65(2) Å and O(3)-K(1)-O(3)=92.0(6)°). About twelve K+ ions lie at site I' in the sodalite cavity opposite double six rings (D6R's) and these K+ ions are recessed ca. 1.62 Å into the sodalite cavity from their O(3) plane (K(2)-O(3)=2.74(2) Å, O(3)-K(2)-O(3)=88.5(8)°). About thirty-two K+ ions are located at the site II in the supercage and these K+ ions are recessed ca. 1.20 Å into the supercage from their O(2) plane (K(3)-O(2)=2.64(2) Å, and O(2)-K(3)-O(2)=101(1)°). About twenty-two K+ ions lie at the site III in the supercage opposite 4-ring ladder and the remaining ten K+ ions lie at the site III' near the 4-ring ladder in the supercage (K(4)-O(4)=2.88(3) Å, O(4)-K(4)-O(4)=79.8(9)°, K(5)-O(4)=2.8(2) Å, and O(4)-K(5)-O(4)=68(5)°).

• Journal of Korean Society of Environmental Engineers
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• v.33 no.8
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• pp.572-577
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• 2011

The unit load has simply been used to estimate total pollutant loading from non-point sources, however, it does not count on the variable pollutant loading according to land use characteristics and rainfall intensity. Since pollutant emission from the watershed is strongly dependent on the rainfall intensity, it is necessary to find out the relationship between pollutant loading and rainfall intensity. The objective of this study is to develop simple and easy method to compute non-point source pollution loads with consideration of rainfall intensity. Two non-point source removal facility at Gyeongan-dong (Gwangju-si) and Mohyeon-myeon (Yongin-si), Gyeonggi-do was selected to monitor total rainfall, rainfall intensity, runoff characteristics and water quality from June to November, 2010. Most of Event Mean Concentrations (EMC) of measured water quality data were higher in Gyeongan which has urban land use than in Mohyeon which has rural land use. For the case of TP (Total Phosphorus), Mohyeon has higher values by the influence of larger chemical uses such as fertilizer. The relationship between non-point source pollution load and rainfall intensity is perfectly well explained by cubic regression with 0.33~0.81 coefficients of determination($R^2$). It is expected that the pollution loading function based on the long-term monitoring would be very useful with good accuracy in computing non-point source pollution load, where a rainfall intensity is highly variable.

• Korean Journal of Materials Research
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• v.9 no.8
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• pp.792-797
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• 1999

The 8mol.%Y$_2$$O_3$-$ZrO_2$mainly employed as an electrolyte of solid oxide fuel cells(SOFCs) shows excellent electrical properties but has a weakness in the mechanical properties. Since the electrolyte of SOFCs requires both good electrical and mechanical properties, this study was conducted to meet both requirements. The electrolyte thin films were produced on the LSM(cathode material) substrate of a cell and Si wafer. Four electrolyte film types of single layer and the multiple layer, consisting of 3-YSZ(3mol.%$Y_2$$O_3$) with excellent mechanical properties and 8-YSZ with the excellent electric conduction, were produced by electron beam coating technology. Ther crystal structure and the mechanical properties were also analysed. As the results of the study, the 3-YSZ thin film turned out to be in the tetragonal, partially monoclinic phase, while the 8-YSZ thin film showed the cubic phase. The residual stress in the multiple layer was lower than that of the single layer. The microhardness of the multiple layer was similar to that of the existing 8-YSZ single layer both before and after annealing treatment.

• Korean Journal of Materials Research
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• v.9 no.7
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• pp.701-706
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• 1999

The crystal structure and magnetic properties of magnetic oxide system (F $e_2$ $O_3$)$_{5}$(A $l_2$ $O_3$)$_{4-x}$(G $a_2$ $O_3$)$_{x}$)SiO has been studied using X-ray diffraction and Mossbauer spectroscopy The changes of magnetic structure by the Ga ion substitution and the temperature variation have been investigated using Mossbauer spectroscopy, and the results are compared with those of the SQUIB measurements. Results of X-ray diffraction indicated that the crystal structures of the system change from a cubic spinel type to an orthorhombic via the intermediate region. This magnetic oxide system seems to be new kind of spinel type ferrites containing high concentration of cation vacancies. Various and complicated Mossbauer spectra were observed in the samples (x>0.2) at temperatures lower than room temperature. This result could be explained by freezing of the superparamagnetic dusters. On cooling and substitution, magnetic states of the system show various and multicritical properties. Unexpected dip in magnetization curves below 50K was observed in SQUID measurements. It was interpreted as an effect of spin canting including spin freezing or collective spin behavior.ior.r.

• Journal of the Korean Vacuum Society
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• v.16 no.4
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• pp.262-266
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• 2007

Polycrystalline $Mn_xFe_{3-x}O_4$ thin films were synthesized on Si(100) substrates using sol-gel method and the effects of Mn substitution on the structural, magnetic, and magnetotransport properties were analyzed. X-ray diffraction revealed that cubic structure is maintained up to x = 1.78 with increasing lattice constant for increasing x. Such increase of the lattice constant is attributable to the substitution of $Mn^{2+}$ (with larger ionic radius) ions into tetrahedral $Fe^{3+}$(with smaller ionic radius) sites. VSM measurements revealed that $M_s$ does not vary significantly with x, qualitatively explainable by comparing spin magnetic moments of Mn and Fe ions. On the other hand, $H_c$ was found to decrease with increasing x, attributable to the decrease of magnetic anisotropy due to the decrease of $Fe^{2+}$ density through $Mn^{2+}$ substitution. Magnetoresistance (MR) of the $Mn_xFe_{3-x}O_4$ films was found to decrease with increasing x. Analysis of the MR data in comparison with the VSM results gives an indication of the tunneling of spin-polarized carriers through the grain boundaries of the polycrystalline samples at low external field and spin-flip of the carriers at high external field.

• Analytical Science and Technology
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• v.16 no.5
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• pp.375-390
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• 2003

A single crystal of fully indium-exchanged zeolite A (In-A) was brought into contact with antimony in a fine Pyrex capillary at $350^{\circ}C$ for 6 days. The reaction was monitored by electron-probe X-ray microanalysis (EPXMA). The crystal structure of antimony-sorbed indium-exchanged zeolite A has been determined by single-crystal X-ray diffraction techniques at $21^{\circ}C$ in the cubic space group Pm ${\bar{3}}m$. The crystal structure of $In_8Si_{12}Al_{12}O_{48}{\cdot}(In)_{1.35}(Sb)_{0.7}$ ($a=12.111(2){{\AA}}$, $R_1=0.071$, and $R_2=0.067$) has 8 indium cations, 1.35 indium atoms, and 0.7 antimony atoms per unit cell. Unit cell 1 ($In_8-A{\cdot}In$, 65% of unit cells) contain the $(In_5)^{8+}$ cluster. In unit cell 2 ($In_8-A{\cdot}(In)_2(Sb)_2$, 35% of unit cells), two $(In_3)^{2+}$ cluster and one $(In_3Sb_2)^{7+}$ cluster are found in the large cavity.

• Journal of the Korea Concrete Institute
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• v.23 no.1
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• pp.121-127
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• 2011

In this study, possible use of indigenous natural loess (Hwangtoh) as a new binding material via geopolymerization process is examined. Hwangtoh pastes with four different mix proportions of varying alkali liquid concentrations (6 M, 8 M) and the constituents of the binder as well as the alkali liquid at a constant liquid-to-binder ratio of 0.55 were prepared. Analysis of the natural loess (Hwangtoh) paste was carried out as follows : 1) Measurement of compressive strength and weight of cubic specimens versus curing time; 2) Analysis by X-ray diffraction (XRD) and scanning electron microscope (SEM) about reaction product; 3) Porosity analysis of hardened Hwangtoh paste. The result showed that it is possible to prepare Hwangtoh paste with 29.1 MPa at the age of 7 day by using alkali solution (made as 1 : 4.5 the mass ratio of liquefied $Na_2SiO_3$ and NaOH solution and applying the curing temperature of $60^{\circ}C$). Compressive strength development with respect to the degree of moisture evaporation from the paste seems to be independent of curing temperature. Therefore, it seems that higher early strength of the paste specimens cured at higher temperature can be attributed to both higher rate of reaction and moisture evaporation.

• Bulletin of the Korean Chemical Society
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• v.32 no.10
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• pp.3696-3701
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• 2011

The single-crystal structure of partially dehydrated partially $Mg^{2+}$-exchanged zeolite Y, ${\mid}Mg{30.5}Na_{14}(H_2O)_{2.5}{\mid}$ [$Si_{117}Al_{75}O_{384}$]-FAU per unit cell, ${\alpha}$ = 25.5060(1) ${\AA}$, dehydrated at 723 K and $1{\times}10^{-4}$ Pa, has been determined by single-crystal X-ray diffraction techniques in the cubic space group Fd$\bar{3}$ m at 100(1) K. The structure was refined using all intensities to the final error indices (using only the 561 reflections with $F_{\circ}$ > $4{\sigma}(F_{\circ})$) $R_1$ = 0.0377 (Based on F) and $R_2$ = 0.1032 (Based on $F^2$). About 30.5 $Mg^{2+}$ ions per unit cell are found at four different crystallographic sites. The 14 $Mg^{2+}$ ions occupy at site I at the center of double 6-ring (Mg-O = 2.231(3) ${\AA}$, O-Mg-O = $89.15(11)^{\circ}$ and $90.85(11)^{\circ}$). Four $Mg^{2+}$ ions are found at site I' in the sodalite cavity; the $Mg^{2+}$ ions are recessed 1.22 ${\AA}$ into the sodalite cavity from their 3-oxygen plane (Mg-O = 2.20(3) ${\AA}$ and O-Mg-O = $92.3(14)^{\circ}$). Site II' positions (opposite single 6-rings in the sodalite cage) are occupied by 2.5 $Mg^{2+}$ ions, each coordinated to an $H_2O$ molecule (Mg-O = 2.187(20) ${\AA}$ and O-Mg-O = $114.2(16)^{\circ}$). The 10 $Mg^{2+}$ ions are nearly three-quarters filled at site II in the supercage, being recessed 0.12 ${\AA}$ into the supercage (Mg-O = 2.123(4) A and O-Mg-O = $119.70(19)^{\circ}$). About 14 $Na^+$ ions per unit cell are found at one crystallographic site; the $Na^+$ ions are located at site II in the supercage (Na-O = 2.234(7) ${\AA}$ and O-Mg-O = $110.5(4)^{\circ}$).

• Korean Journal of Materials Research
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• v.13 no.8
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• pp.519-523
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• 2003

We report the synthesis of cubic spinel $ZnCo_2$$O_4$thin films and the tunability of the conduction type by control of the oxygen partial pressure ratio. Zinc cobalt oxide films were grown on$ SiO_2$(200 nm)/Si substrates by reactive magnetron sputtering method using Zn and Co metal targets in a mixed Ar/$O_2$atmosphere. We found from X-ray diffraction measurements that the crystal structure of the zinc cobalt oxide films grown under an oxygen-rich condition (the $O_2$/Ar partial pressure ratio of 9/1) changes from wurtzite-type $Zn_{1-x}$ $Co_{X}$O to spinel-type $ZnCo_2$$O_4$with the increase of the Co/Zn sputtering ratio,$ D_{co}$ $D_{zn}$ . We noted that the above structural change accompanied by the variation of the majority electrical conduction type from n-type (electrons) to p-type (holes). For a fixed $D_{co}$ $D_{zn}$ / of 2.0 yielding homogeneous spinel-type $_2$O$ZnCo_4$films, the type of the majority carriers also varied, depending on the$ O_2$/Ar partial pressure ratio: p-type for an $O_2$-rich and n-type for an Ar-rich atmosphere. The maximum electron and hole concentrations for the Zn $Co_2$ $O_4$films were found to be 1.37${\times}$10$^{20}$ c $m^{-3}$ and 2.41${\times}$10$^{20}$ c $m^{-3}$ , respectively, with a mobility of about 0.2 $\textrm{cm}^2$/Vs and a high conductivity of about 1.8 Ω/$cm^{-1}$ /.