• Title/Summary/Keyword: Chemical structure

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Electrochemical Properties of Pyrolytic Carbon and Boron-doped Carbon for Anode Materials In Li-ion Secondary Batteries (리튬 이온 이차전지 부극용 열분해 탄소 및 붕소첨가 탄소의 전기화학적 특성)

  • Kwon, Ik-Hyun;Song, Myoung-Youp;Bang, Eui-Yong;Han, Young-Soo;Kim, Ki-Tae;Lee, Jai-Young
    • Journal of the Korean Electrochemical Society
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    • v.5 no.1
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    • pp.30-38
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    • 2002
  • Disordered carbon and boron-substituted disordered carbons $C_{l-x}B_x(x=0.05,\;0.10,\;0.20)$ were synthesized by Pyrolysis of LPG(liquid Propane gas)and $BCl_3$. Their electrochemical properties as anode materials for Li-ion secondary batteries were then investigated. When PVDF is added to the sample in a weight ratio 5 : 95, the disordered carbon with x=0.00 had the first discharge capacity 374 mAh/g. Its cycling performance was relatively good from the second cycle and it had the discharge capacity 258 mAh/g at the 10th cycle. When PVDF is added to the sample in a weight ratio 5 : 95, the sample with x=0.05 among the samples $C_{l-x}B_x(x=0.05,\;0.10,\;0.20)$ exhibited the largest first discharge capacity 860 mAh/g and discharge capacity 181 mAh/g at the 10th cycle. All the samples had similar cycling performances from the second cycle. The sample $C_{0.90}B_{0.10}$ showed the best electrochemical properties as a anode materials fur Li-ion secondary battery from the view points of the first discharge capacity(853 mAh/g when $10w1.\%$ PVDF is used), cycling performance, discharge capacity(400mAh/g at the 10th cycle when $10wt.\%$ PVDF is used). All the samples showed generally larger charge and discharge capacities when $10wt.\%$ PVDF ratter than $5wt.\%$ PVDF is used. The plateau region in the range of voltage lower than 1.25V becomes larger probably since the structure becomes less disordered by the addition of boron. When boron is added, the charge and discharge capacities decreased suddenly at the second cycle. This may be become only a part of Li are reversibly deintercalated and intercalated and a part of Li which are strongly combined with B are not deintercalated. The increases in charge and discharge capacities are considered to be resulted from the increase in the potential of Li in the boron-added carbons, caused by the strengthening of the chemical bond between the intercalated Li and the boron-carbon host since the boron acts as electron acceptor.

Manganese and Iron Interaction: a Mechanism of Manganese-Induced Parkinsonism

  • Zheng, Wei
    • Proceedings of the Korea Environmental Mutagen Society Conference
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    • 2003.10a
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    • pp.34-63
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    • 2003
  • Occupational and environmental exposure to manganese continue to represent a realistic public health problem in both developed and developing countries. Increased utility of MMT as a replacement for lead in gasoline creates a new source of environmental exposure to manganese. It is, therefore, imperative that further attention be directed at molecular neurotoxicology of manganese. A Need for a more complete understanding of manganese functions both in health and disease, and for a better defined role of manganese in iron metabolism is well substantiated. The in-depth studies in this area should provide novel information on the potential public health risk associated with manganese exposure. It will also explore novel mechanism(s) of manganese-induced neurotoxicity from the angle of Mn-Fe interaction at both systemic and cellular levels. More importantly, the result of these studies will offer clues to the etiology of IPD and its associated abnormal iron and energy metabolism. To achieve these goals, however, a number of outstanding questions remain to be resolved. First, one must understand what species of manganese in the biological matrices plays critical role in the induction of neurotoxicity, Mn(II) or Mn(III)? In our own studies with aconitase, Cpx-I, and Cpx-II, manganese was added to the buffers as the divalent salt, i.e., $MnCl_2$. While it is quite reasonable to suggest that the effect on aconitase and/or Cpx-I activites was associated with the divalent species of manganese, the experimental design does not preclude the possibility that a manganese species of higher oxidation state, such as Mn(III), is required for the induction of these effects. The ionic radius of Mn(III) is 65 ppm, which is similar to the ionic size to Fe(III) (65 ppm at the high spin state) in aconitase (Nieboer and Fletcher, 1996; Sneed et al., 1953). Thus it is plausible that the higher oxidation state of manganese optimally fits into the geometric space of aconitase, serving as the active species in this enzymatic reaction. In the current literature, most of the studies on manganese toxicity have used Mn(II) as $MnCl_2$ rather than Mn(III). The obvious advantage of Mn(II) is its good water solubility, which allows effortless preparation in either in vivo or in vitro investigation, whereas almost all of the Mn(III) salt products on the comparison between two valent manganese species nearly infeasible. Thus a more intimate collaboration with physiochemists to develop a better way to study Mn(III) species in biological matrices is pressingly needed. Second, In spite of the special affinity of manganese for mitochondria and its similar chemical properties to iron, there is a sound reason to postulate that manganese may act as an iron surrogate in certain iron-requiring enzymes. It is, therefore, imperative to design the physiochemical studies to determine whether manganese can indeed exchange with iron in proteins, and to understand how manganese interacts with tertiary structure of proteins. The studies on binding properties (such as affinity constant, dissociation parameter, etc.) of manganese and iron to key enzymes associated with iron and energy regulation would add additional information to our knowledge of Mn-Fe neurotoxicity. Third, manganese exposure, either in vivo or in vitro, promotes cellular overload of iron. It is still unclear, however, how exactly manganese interacts with cellular iron regulatory processes and what is the mechanism underlying this cellular iron overload. As discussed above, the binding of IRP-I to TfR mRNA leads to the expression of TfR, thereby increasing cellular iron uptake. The sequence encoding TfR mRNA, in particular IRE fragments, has been well-documented in literature. It is therefore possible to use molecular technique to elaborate whether manganese cytotoxicity influences the mRNA expression of iron regulatory proteins and how manganese exposure alters the binding activity of IPRs to TfR mRNA. Finally, the current manganese investigation has largely focused on the issues ranging from disposition/toxicity study to the characterization of clinical symptoms. Much less has been done regarding the risk assessment of environmenta/occupational exposure. One of the unsolved, pressing puzzles is the lack of reliable biomarker(s) for manganese-induced neurologic lesions in long-term, low-level exposure situation. Lack of such a diagnostic means renders it impossible to assess the human health risk and long-term social impact associated with potentially elevated manganese in environment. The biochemical interaction between manganese and iron, particularly the ensuing subtle changes of certain relevant proteins, provides the opportunity to identify and develop such a specific biomarker for manganese-induced neuronal damage. By learning the molecular mechanism of cytotoxicity, one will be able to find a better way for prediction and treatment of manganese-initiated neurodegenerative diseases.

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Synthesis of Garnet in the Ca-Ce-Gd-Zr-Fe-O System (Ca-Gd-Ce-Zr-Fe-O계에서의 석류석 합성 연구)

  • Chae Soo-Chun;Jang Young-Nam;Bae In-Kook;Yudintsev S.V.
    • Economic and Environmental Geology
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    • v.38 no.2 s.171
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    • pp.187-196
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    • 2005
  • Structural sites which cations can occupy in garnet structure are centers of the tetrahedron, octahedron, and distorted cube sharing edges with the tetrahedron and octahedron. Among them, the size of cation occuping at tetrahedral site (the center of tetrahedron) is closely related with the size of a unit cell of garnet. Accordingly, garnet containing iron with relative large ionic radii in tetrahedral site can be considered as a promising matrix for the immobilization of the elements with large ionic radii, such as actinides in radioactive wastes. We synthesized several garnets with the batch composition of $Ca_{1.5}GdCe_{0.5}ZrFeFe_3O_{12}$, and studied their properties and phase relations under various conditions. Mixed samples were fabricated in a pellet form under a pressure of $200{\~}400{\cal}kg/{\cal}cm^2$ and were sintered in the temperature range of $1100\~1400^{\circ}C$ in air and under oxygen atmospheres. Phase identification and chemical analysis of synthesized samples were conducted by XRD and SEM/EDS. In results, garnet was obtained as the main phase at $1300^{\circ}C$, an optimum condition in this system, even though some minor phases like perovskite and unknown phase were included. The compositions of garnet and perovskite synthesized from the batch composition of $Ca_{1.5}GdCe_{0.5}ZrFeFe_3O_{12}$ were ranged $[Ca_{l.2-1.8}Gd_{0.9-1.4}Ce_{0.3-0.5}]^{VIII}[Zr_{0.8-1.3}Fe_{0.7-1.2}]^{VI}[Fe_{2.9-3.1}]^{IV}O_{12}$ and $Ca_{0.1-0.5}Gd_{0.0-0.8}Ce_{0.1-0.5}\;Zr_{0.0-0.2}Fe_{0.9-1.1}O_3$, respectively. Ca content was exceeded and Ce content was depleted in the 8-coordinated site, comparing to the initial batch composition. This phenomena was closely related to the content of Zr and Fe in the 6-coordinated site.

Geological Characteristics of Extra Heavy Oil Reservoirs in Venezuela (베네주엘라 초중질유 저류층 지질 특성)

  • Kim, Dae-Suk;Kwon, Yi-Kyun;Chang, Chan-Dong
    • Economic and Environmental Geology
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    • v.44 no.1
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    • pp.83-94
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    • 2011
  • Extra heavy oil reservoirs are distributed over the world but most of them is deposited in the northern part of the Orinoco River in Venezuela, in the area of 5,500 $km^2$, This region, which has been commonly called "the Orinoco Oil Belt", contains estimated 1.3 trillion barrels of original oil-in-place and 250 billion barrels of established reserves. The Venezuela extra heavy oil has an API gravity of less than 10 degree and in situ viscosity of 5,000 cP at reservoir condition. Although the presence of extra heavy oil in the Orinoco Oil Belt has been initially reported in the 1930's, the commercial development using in situ cold production started in the 1990's. The Orinoco heavy oil deposits are clustered into 4 development areas, Boyaco, Junin, Ayachoco, and Carabobo respectively, and they are subdivided into totally 31 production blocks. Nowadays, PDVSA (Petr$\'{o}$leos de Venzuela, S.A.) makes a development of each production block with the international oil companies from more than 20 countries forming a international joint-venture company. The Eastern Venezuela Basin, the Orinoco Oil Belt is included in, is one of the major oil-bearing sedimentary basins in Venezuela and is first formed as a passive margin basin by the Jurassic tectonic plate motion. The major source rock of heavy oil is the late Cretaceous calcareous shale in the central Eastern Venezuela Basin. Hydrocarbon materials migrated an average of 150 km up dip to the southern margin of the basin. During the migration, lighter fractions in the hydrocarbon were removed by biodegradation and the oil changed into heavy and/or extra heavy oil. Miocene Oficina Formation, the main extra heavy oil reservoir, is the unconsolidated sand and shale alternation formed in fluvial-estuarine environment and also has irregularly a large number of the Cenozoic faults induced by basin subsidence and tectonics. Because Oficina Formation has not only complex lithology distribution but also irregular geology structure, geological evolution and characteristics of the reservoirs have to be determined for economical production well design and effective oil recovery. This study introduces geological formation and evolution of the Venezuela extra heavy oil reservoirs and suggest their significant geological characteristics which are (1) thickness and geometry of reservoir pay sands, (2) continuity and thickness of mud beds, (3) geometry of faults, (4) depth and geothermal character of reservoir, (5) in-situ stress field of reservoir, and (6) chemical composition of extra heavy oil. Newly developed exploration techniques, such as 3-D seismic survey and LWD (logging while drilling), can be expected as powerful methods to recognize the geological reservoir characteristics in the Orinoco Oil Belt.

The Influence of the Substituents for the Insecticidal Activity of N' -phenyl-N-methylformamidine Analogues against Two Spotted Spider Mite (Tetranychus urticae) (두 점박이 응애(Tetranychus urticae) 에 대한 N'-phenyl-N-methylformamidine 유도체의 살충활성에 미치는 치환기들의 영향)

  • Lee, Jae-Whang;Choi, Won-Seok;Lee, Dong-Guk;Chung, Kun-Hoe;Ko, Young-Kwan;Kim, Tae-Joon;Sung, Nack-Do
    • The Korean Journal of Pesticide Science
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    • v.14 no.4
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    • pp.319-325
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    • 2010
  • To understand the influences of the substituents ($R_1{\sim}R_4$) on insecticidal activity of N'-phenyl-N-methylformamidine analogues (1~22) against two spotted spider mite (Tetranychus urticae), comparative molecular field analysis (CoMFA) model and comparative molecular similarity indices analysis (CoMSIA) model as three dimensional quantitative structure-activity relationships (3D-QSARs) model were derived and discussed quantitatively. From the results, the correlativity and predictability ($r^2{_{cv.}}=0.575$ and $r^2{_{ncv.}}=0.945$) of the CoMFA 1 model were higher than those of the rest models. The the CoMFA 1 and CoMSIA 1 model with the sensitivity of the perturbation and the prediction produced ($d_q{^{2'}}/dr^2{_{yy}}=1.071{\sim}1.146$ & $q^2=0.545{\sim}0.626$) by a progressive scrambling analysis were not dependent on chance correlation. The insecticidal activities from the optimized CoMFA 1 model were depend upon the steric field (62.5%), electrostatic field (28.9%), and hydrophobic field (8.6%) of N'-phenyl-N-methylformamidine analogues. Therefore, the inhibitory activities with optimized CoMFA 1 model were dependent upon steric factor. From the contour maps of the optimized models, it is predicted that the structural distinctions that contribute to the insecticidal activity will be able to applied new potent insecticides design.

Petrochemical study on the Daejeon-sa basalt in the Mt. Juwang area, Cheongsong (청송 주왕산지역 대전사 현무암의 암석화학적 연구)

  • 윤성효;이문원;고정선;김영라;안지영
    • The Journal of the Petrological Society of Korea
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    • v.9 no.2
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    • pp.84-98
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    • 2000
  • Daejeon-sa basalt in the Mt. Juwang area composed of 12 basalt flows alternate with 9 peperites and each basalt and peperite has the variety of thickness. Peperites yielded in Daejeon-sa basalt are mixed of basalt with reddish shale, of which textural type is globular peperite. Basalts yielded in Daejeon-sa basalt are massive basalt without vesicule, although sometimes vesicules are founded in upper within a flow unit. The basalt has mainly pseudomorph of olivine as phenocryst, and also plagioclase and clinopyroxene phenocryst. Matrix is mainly subophitic texture. The plotting result on the TAS diagram shows these basalts belong to the sub-alkaline, and it can be subdivided into calc-alkaline series on the basis of the diagram of Si02 vs. K20 and of alkali index vs. A1203 diagram. According to plots of wt.% oxides vs. wt.% MgO, abundances of A1203 and CaO increase with decreasing MgO while F ~ dOecre~ase . With decreasing MgO compatible elements decrease while incompatible elements increase. In spider diagram of MORB-normalized trace element patterns, HFS elements are nearly similiar with MORB, but LIL elements are enriched. Especially, contents of Ce, F: and Sm are enriched but Nb is depleted. In the chondrite-normalized REE patterns light REEs are enriched than heavy REEs. Tectomagmatic discrimination diagrams shows basalts in the study area are formed in the tectonomagmatic environment of subduction zone under continental margin. This result accord with characters of chemical composition mentioned above. Cr vs. Y diagram and CeM, vs. Ce diagram show that the primary magma of the basalts may formed by the about 15% partial melting of garnet-peridotite in the mantle wedge. After then, Daejeon-sa basalts may formed from evolved magma undergone mainly olivine fractional crystallization and contarnination of crustal materials before eruption.

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Occurrence Characteristics and Existing Forms of U-Th Containing Minerals in KAERI Underground Research Tunnel(KURT) Granite (한국원자력연구원 지하처분연구시설(KURT) 화강암의 U-Th 함유광물 산출특성 및 존재형태)

  • Cho, Wan Hyoung;Baik, Min Hoon;Park, Tae-Jin
    • Economic and Environmental Geology
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    • v.50 no.2
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    • pp.117-128
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    • 2017
  • Occurrence characteristics and existing forms of U-Th containing minerals in KURT (KAERI Underground Research Tunnel) granite are investigated to understand long-term behavior of radionuclides in granite considered as a candidate rock for the geological disposal of high-level radioactive waste. KURT granite primarily consists of quartz, feldspar and mica. zircon, REE(Rare Earth Element)-containing monazite and bastnaesite are also identified. Besides, secondary minerals such as sericite, microcline and chlorite including quartz vein and calcite vein are observed. These minerals are presumed to be accompanied by a post-hydrothermal process. U-Th containing minerals are mainly observed at the boundaries of quartz, feldspar and mica, mostly less than $30{\mu}m$ in size. Quantitative analysis results using EPMA (Electron Probe Micro-Analyzer) show that 74.2 ~ 96.5% of the U-Th containing minerals consist of $UO_2$ (3.39 ~ 33.19 wt.%), $ThO_2$ (41.61 ~ 50.24 wt.%) and $SiO_2$ (15.43 ~ 18.60 wt.%). Chemical structure of the minerals calculated using EPMA quantitative analysis shows that the U-Th minerals are silicate minerals determined as thorite and uranothorite. The U-Th containing silicate minerals are formed by a magmatic and hydrothermal process. Therefore, KURT granite formed by a magmatic differentiation is accompanied by an alteration and replacement owing to a hydrothermal process. U-Th containing silicate minerals in KURT granite are estimated to be recrystallized by geochemical factors and parameters such as temperature, pressure and pH owing to the hydrothermal process. By repeated dissolution/precipitation during the recrystallization process, U-Th containing silicate minerals such as thorite and uranothorite are formed according to the variation in the concentrated amount of U and Th.

A study on the Development of a Drying and Fermentation Process of Domestic Animal Manure;II. Demonstration of a Pig Manure Treatment System on a Farm (가축분(家畜糞) 건조(乾燥) , 발효(醱酵) 복합시설(複合施設) 개발(開發) 연구(硏究);II. 돈분(豚糞) 건조(乾燥), 발효(醱酵), 복합시설(複合施設) 실증시험(實證試驗))

  • Yun, Sun-Gang;Jung, Kwang-Yong;Park, Woo-Kun;Kwon, Sun-Ik;Park, Hong-Jae;Yoo, Sun-Ho
    • Korean Journal of Environmental Agriculture
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    • v.13 no.2
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    • pp.223-230
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    • 1994
  • A practical study on a drying and fermentation system equipped with a stirring machine operated mechanically, of pig manure was conducted to prove the efficiency of and practicability to an ordinary pig farm. The type of the drying bed was a round-shaped (r=3m) concrete structure and the stirring machine was adopted to stir and transfer dried pig manure to the fermentation tank. The dried pig manure was put into a fermentation tank ($V=18m^3$), which was aerated from pipe lines installed at the bottom. While water content of pig manure passing through a drying bed was remarkably reduced than before drying, the drying efficiency of this system decreased in winter. However, the temperature of pig manure piled up in the fermentation room in winter reached over $60^{\circ}C$ and excess water of pig manure was removed during the fermentation process. The reduction rate of water content of pig manure, to which dried pig manure was added as bulking material on the drying bed, was 52.1%, but when dried without bulking material it was only 19.7%. Although the content of $P_2O_5$ of dried pig manure was slightly higher than that of fresh pig manure, progressive changes in chemical composition between fresh and dried pig manure made no great difference. Among the contents of minerals of fresh and dried pig manure, CaO was the highest and the rest were in the decreasing order of $K_2O$, MgO, and $Na_2O$. Population density of E. coli and Streptococci of dried pig manure was reduced by 142 and 236 times that of fresh pig manure, respectively. The installation cost of this drying and fermentation system was 4,185,630 won (approximately 5,232 US $) and operating cost per year was 190,000 won (237.5US $) on the basis of self-labor condition.

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Miscibility and Specific Intermolecular Interaction Strength of PBI/PI Blends Depending on Polyimide Structure(II) - Blend Systems with PIs Synthesized by DSDA - (폴리이미드 구조변화에 의한 방향족 PBI/PI 블렌드의 상용성 및 상호작용의 세기(II) - DSDA로 합성한 PI들과의 블랜드들 -)

  • Ahn, Tae-Kwang
    • Applied Chemistry for Engineering
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    • v.9 no.2
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    • pp.207-213
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    • 1998
  • On the basis of the previous study[1], miscibility were investigated and intermolecular interaction strength for the miscibility were relatively compared for the blends poly{2,2-(m-phenylene)-5,5'-bibenzimidazole}(PBI) with two aromatic polyimides (PIs) synthesized by another dianhydride. Aromatic PAAs were prepared by the reaction of condensation of two diamines, 4,4'-methylene dianiline(4,4'-MDA) and 4,4'-oxydianiline(4,4'-ODA) with 3,3',4,4'-diphenylsulfone tetracarboxylic dianhydride(DSDA) using DMAc, and then converted into PIs after curing. PBI/PAA blends were prepared by solution blending. Cast films or precipitated powders of the PBI/PAA blends were cared at a high temperature to transform into PBI/PIs blends. Miscibility and specific intermolecular interaction for miscibility in the blends were investigated, and compared with previous polyimide structures of PBI/PIs blends [1]. Two blends, PBI/DSDA+4,4'-MDA(Blend-V) and PBI/DSDA+4,4'-ODA(Blend-VI), were found miscible : the evidences were optically clear films, synergistic single composition dependent $T_g{\prime}s$, and frequency shifts of N-H stretching band as much as $39{\sim}40cm^{-1}$, and of C=O stretching band near 1730 and $1780cm^{-1}$, 5~6 and $3{\sim}4cm^{-1}$, respectively. The specific intermolecular interactions existing between PBI and PIs were relatively analyzed with the area(A) formed between the $T_g{\prime}s$ of the measured and that of the calculated by the Fox equation at all compositions, the ${\kappa}$ values in Gordon-Taylor equation obtained from the measured $T_g{\prime}s$, and differences of the frequency shifts in the functional N-H and carbonyl stretching band. From the results, the area(A) and the ${\kappa}$ values for Blend-V and VI were smaller than those for Blend-III and IV used in previous study[1]. Differences of the frequency shifts in the functional groups(N-H and C=O) also showed similar tendency. Thus, specific intermolecular interaction strength in terms of hydrogen bonding of PBI/PI blends is dependent upon chemical structures of PIs, that is, PIs it seems that $SO_2$ group in dianhydride(DSDA) has weaker hydrogen bond strength than those of C=O in BTDA. In other words, it implies that the former occupied bulk space than the latter due to the sterric effect.

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Kinetics and Mechanism of the Oxidation of Alcohols by C9H7NHCrO3Cl (C9H7NHCrO3Cl에 의한 알코올류의 산화반응에서 속도론과 메카니즘)

  • Park, Young-Cho;Kim, Young-Sik;Kim, Soo-Jong
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.8
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    • pp.378-384
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    • 2018
  • $C_9H_7NHCrO_3Cl$ was synthesized by reacting $C_9H_7NH$ with chromium (VI) trioxide. The structure of the product was characterized by FT-IR (Fourier transform infrared) spectroscopy and elemental analysis. The oxidation of benzyl alcohol by $C_9H_7NHCrO_3Cl$ in various solvents showed that the reactivity increased with increasing dielectric constant(${\varepsilon}$) in the following order: DMF (N,N'-dimethylformamide) > acetone > chloroform > cyclohexane. The oxidation of alcohols was examined by $C_9H_7NHCrO_3Cl$ in DMF. As a result, $C_9H_7NHCrO_3Cl$ was found to be an efficient oxidizing agent that converts benzyl alcohol, allyl alcohol, primary alcohols, and secondary alcohols to the corresponding aldehydes or ketones (75%-95%). The selective oxidation of alcohols was also examined by $C_9H_7NHCrO_3Cl$ in DMF. $C_9H_7NHCrO_3Cl$ was the selective oxidizing agent of benzyl, allyl and primary alcohol in the presence of secondary ones. In the presence of DMF with an acidic catalyst, such as $H_2SO_4$, $C_9H_7NHCrO_3Cl$ oxidized benzyl alcohol (H) and its derivatives ($p-OCH_3$, $m-CH_3$, $m-OCH_3$, m-Cl, and $m-NO_2$). Electron donating substituents accelerated the reaction rate, whereas electron acceptor groups retarded the reaction rate. The Hammett reaction constant (${\rho}$) was -0.69 (308K). The observed experimental data were used to rationalize hydride ion transfer in the rate-determining step.