• Korean Journal of Mineralogy and Petrology
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• v.33 no.1
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• pp.1-10
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• 2020

The atomic structures of silicate liquids at high pressure provide insights into the transport properties including thermal conductivities or elemental partitioning behavior between rocks and magmas in Earth's interior. Whereas the local electronic structure around silicon may vary with the arrangement of the nearby oxygens, the detailed nature of such relationship remains to be established. Here, we explored the atomic origin of the pressure-induced changes in the electronic structure around silicon by calculating the partial electronic density of states and L₃-edge X-ray absorption spectra of SiO₂ polymorphs. The result showed that the Si PDOS at the conduction band varies with the crystal structure and local atomic environments. Particularly, d-orbital showed the distinct features at 108 and 130 eV upon the changes in the coordination number of Si. Calculated Si XAS spectra showed features due to the s,d-orbitals at the conduction band and varied similarly with those observed in s,d-orbitals upon changes in the crystal structures. The calculated Si XAS spectrum for α-quartz was analogous to the experimental Si XRS spectrum for SiO₂ glass, implying the overall similarities in the local atomic environments around the Si. The edge energies at the center of gravity of XAS spectra were closely related to the Si-O distance, thus showing the systematic changes upon densification. Current results suggest that the Si L_2,3-edge XRS, sensitive probe of the Si-O distance, would be useful in unveiling the densification mechanism of silicate glasses and melts at high pressure.

• Journal of the Mineralogical Society of Korea
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• v.4 no.1
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• pp.22-31
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• 1991

Three crystal structures of dehydrated $Ag^+$-and $Ca^{2+}$- exchanged zeolite $A(Ag_4Ca_4-A,\;Ag_^Ca_3-A,\;and\;Ag_8Ca_2-A)$ treated at 250${\circ}C$ with 0.1 Torr of Rb vapor have been determined by single-crystal x-ray diffraction techniques in the cubic space group Pm3m at 21(1)${\circ}C$ (a=12,271(1)${\AA}$, 12.255(1)${\AA}$, and 12.339(1)${\AA}$, respectively). Their structures were refined to the final error indices. R(weighted) of 0.072 with 130 reflections, 0.050 with 110 reflections, and 0.083 with 86 reflections, respectively, for which $I>3{\rho}(I)$. In each structure, Rb species are found at three different crystallographic sites:3$Rb^+$+ions per unit cell are located at 8-ring centers, ca. 5.6 to 6.4 $Rb^+$ ions are found opposite 6-rings on threefold axes in the large cavity, and ca. 2.5 to 3.0 $Rb^+$ ions are found on threefold axes in the sodalite unit. Also, Ag species are found at two different crystallographic stites: ca. 0.7 to 2.1 $Ag^+$ lie opposite 4-rings and ca. 2.2 to 4.8 Ag atoms are located near the center of the large cavity. In these structures, the numbers of Ag atoms per unit cell are 2.2, 2.4, and 4.8, respectively, and these may form hexasilver clusters at the centers of the large cavities. The $Rb^+$ ions, by blocking 8-rings, may have prevented silver from migrating out of the structure. Each hexasilver cluster is stabilized by coordination to up to 13 $Rb^+$ions. An excess absorption of about 0.8 Rb atom per unit cell indicates that the presence of a triangular symmetric $(Rb_3)2^{+}$ cation in sodalite cavity. At least one large-cavity six-ring $Rb^+$ ion must necessarily approach this cluster and may be viewed as a member of it to give $(Rb)_4^{3+}$, $(Rb)_5^{4+}$ or $(Rb)_6^{5+}$.

• Korean Journal of Environmental Agriculture
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• v.28 no.2
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• pp.194-201
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• 2009

To evaluate the exposure of non-point source pesticide pollution in agricultural watershed and to investigate pesticide distribution and runoff from agricultural land, paddy field, upland and orchard, this experiment was carry out during crop growing seasons. The pesticide were detected twenty pesticides fungicide 4, insecticide 10, herbicide 6) in water of Neungchon agricultural watershed and detection concentrations were range 0.008${\sim}$7.59 ppb. Most of the detection pesticides were using pesticides to rice paddy fields to control fungi, insects, weeds. During the crop cultivation, the pesticide were detected total thirty pesticides by pepper field soil 6, orchard soil 4, sesame field soil 3 and rice paddy field soil 5, and pesticide concentrations were range 0.001${\sim}$0.109 ppm. Especially the herbicides were detected mainly in May and June in the stream water. The pesticide were detected thirty pesticides by fungicide 2, insecticide 6, herbicide 5 in water of Jungam Koseong agricultural watershed and detection concentrations were range 0.01${\sim}$7.21 ppb. In regard to the detected pesticides, the concentration of individual pesticides measured in surface water of the study areas never exceeded guidelines for agriculture chemicals concerning water quality-effluent from paddy fields in Japan (Katayama, 2003). Runoff rate of pesticides was range 0.07${\sim}$3.06 % from Kongju agricultural land to watershed after applied pesticides.

• Korean Journal of Environmental Agriculture
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• v.38 no.3
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• pp.173-184
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• 2019

BACKGROUND: This study was carried out to investigate pesticide residues from fifty streams in Korea. Water samples were collected at two times. Thee first sampling was performed from april to may, which was the season for start of pesticide application and the second sampling event was from august to september, which was a period for spraying pesticides multiple times. METHODS AND RESULTS: The 136 pesticide residues were analyzed by LC-MS/MS and GC/ECD. As a result, eleven of the pesticide residues were detected at the first sampling. Twenty eight of the pesticide residues were detected at the second sampling. Seven pesticides were frequently detected from more than 10 water samples. Ecological risk assessment (ERA) was carried out by using residual and toxicological data. Four scenarios were applied for the ERA. Scenario 1 and 2 were performed using LC50 values and mean and maximum concentrations. Scenarios 3 and 4 were conducted by NOEC values and mean and maximum concentrations. CONCLUSION: Frequently detected pesticide residues tended to coincide with the period of preventing pathogen and pest at paddy rice. As a result of ERA, five pesticides (butachlor, carbendazim, carbofuran, chlorantranilprole, and oxadiazon) were assessed to be risks at scenario 4. However, only oxadiazon was assessed to be a risk at scenario 3 for the first sampling. Oxadiazon was not assessed to be a risk at the second sampling. It seems to be temporary phenomenon at the first sampling, because usage of herbicides such as oxadiazon increased from April to march for preventing weeds at paddy fields. However, this study suggested that five pesticides which were assessed to be risks need to be monitored continuously for the residues.