• Journal of the Mineralogical Society of Korea
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• v.20 no.4
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• pp.313-325
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• 2007

In order to have better insights into adsorption of organic molecules on kaolinite surfaces, we performed quantum chemical calculations of interaction between three different model clusters of kaolinite siloxane surfaces and benzyl alcohol, with emphasis on the effect of size and lattice topology of the cluster on the variation of electron density and magnetic shielding tensor. Model cluster 1 is an ideal silicate tetrahedral surface that consists of 7 hexagonal rings, and model cluster 2 is composed of 7 ditrigonal siloxane rings with crystallographically distinct basal oxygen atoms in the cluster, and finally model cluster 3 has both tetrahedral and octahedral layers. The Mulliken charge analysis shows that siloxane surface of model cluster 3 undergoes the largest electron density transfer after the benzyl alcohol adsorption and that of model cluster 1 is apparently larger than that of model cluster 2. The difference of Mulliken charges of basal oxygen atoms before and after the adsorption is positively correlated with hydrogen bond strength. NMR chemical shielding tensor calculation of clusters without benryl alcohol shows that three different basal oxygen atoms (O3, O4, and O5) in model cluster 2 have the isotropic magnetic shielding tensor as $228.2{\pm}3.9,\;228.9{\pm}3.4,\;and\;222.3{\pm}3.0ppm$, respectively. After the adsorption, the difference of isotropic chemical shift varies from 1 to 5.5 ppm fer model cluster 1 and 2 while model cluster 2 apparently shows larger changes in isotropic chemical shift. The chemical shift of oxygen atoms is also positively correlated with electron density transfer. The current results show that the adsorption of benzyl alcohol on the kaolinite siloxane surfaces can largely be dominated by a weak hydrogen bonding and electrostatic force (charge-charge interaction) and demonstrate the importance of the cluster site and the lattice topology of surfaces on the adsorption behavior of the organic molecules on clay surfaces.

• Korean Journal of Heritage: History & Science
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• v.53 no.4
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• pp.100-117
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• 2020

National Treasure no. 101, the stupa of State Preceptor Jigwang from the Beopcheonsa Temple Site in Wonju has been transferred from place to place and reassembled several times since it was built. In particular, overall dismantling and repair was carried out in 1957 to restore parts damaged by bombing during the Korean War. Documented information on the repair process and materials used at that time does not exist. However, various types of metal materials used for this stupa have been identified during conservation work. Besides clamps anchor bolts, 9mm-thick circular rebars were mainly used for joining the parts of this stupa, while circular rebars and wires of various thicknesses were used for joining the parts with mortar restoration materials. Although deformed bars are typically used for stone pagodas classified as architectural structures, smooth circular rebars were used in this case. In terms of restoration using mortar, material shapes were transformed, bound alternately, and twisted irregularly to improve bonding strength and coherence in order to insert restoration materials and to bolster structural weaknesses. In addition, metallographic analysis showed the material to be hypo-eutectoid steel with low carbon content. Many non-metallic inclusions in the shape of drops of different sizes were included, which do not affect the whole elemental composition due to the very small quantities involved. Qualitative and EPMA analysis of Mn and S, which were not identified by SEM-EDS area analysis, established an even distribution of MnS in crystal grains of the microstructure, regardless of the shape of the samples. It is presumed that secondary homogenization and softening might have been conducted after manufacturing to facilitate the working process. Furthermore, in consideration of properties indicating that the thinner the steel is, the less carbon content contained and the greater the elasticity and elongation, it is judged that restoration work was ordered.