• Title/Summary/Keyword: Mixed Compound

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Analysis of Intramolecular Electron Transfer in A Mixed-Valence Cu(Ⅰ)-Cu(Ⅱ) Complex Using the PKS Model

  • So Hyunsoo
    • Bulletin of the Korean Chemical Society
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    • v.13 no.4
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    • pp.385-388
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    • 1992
  • The transition probabilities for the thermal intramolecular electron transfer and the optical intervalence transfer band for a symmetric mixed-valence Cu(I)-Cu(II) compound were used to extract the PKS parameters $\varepsilon$ = -1.15, ${\lambda}$ = 2.839, and ${\nu}g$- = 923 $cm^{-1}$. These parameters determine the potential energy surfaces and vibronic energy levels. Three pairs of vibrational levels are below the top of the energy barrier in the lower potential surface. The contribution of each vibrational state to the intramolecular electron transfer was calculated. It is shown that the three pairs of vibrational states below the top of the barrier are responsible for most of the electron transfer at 261-306 K. So the intramolecular electron transfer in this system is a tunneling process. The transition probability exhibits the usual high-temperature Arrhenius behavior, but at lower temperature falls off to a temperature-independent value as tunneling from the lowest levels becomes the limiting process.

Comparative analysis of multiple mathematical models for prediction of consistency and compressive strength of ultra-high performance concrete

  • Alireza Habibi;Meysam Mollazadeh;Aryan Bazrafkan;Naida Ademovic
    • Coupled systems mechanics
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    • v.12 no.6
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    • pp.539-555
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    • 2023
  • Although some prediction models have successfully developed for ultra-high performance concrete (UHPC), they do not provide insights and explicit relations between all constituents and its consistency, and compressive strength. In the present study, based on the experimental results, several mathematical models have been evaluated to predict the consistency and the 28-day compressive strength of UHPC. The models used were Linear, Logarithmic, Inverse, Power, Compound, Quadratic, Cubic, Mixed, Sinusoidal and Cosine equations. The applicability and accuracy of these models were investigated using experimental data, which were collected from literature. The comparisons between the models and the experimental results confirm that the majority of models give acceptable prediction with a high accuracy and trivial error rates, except Linear, Mixed, Sinusoidal and Cosine equations. The assessment of the models using numerical methods revealed that the Quadratic and Inverse equations based models provide the highest predictability of the compressive strength at 28 days and consistency, respectively. Hence, they can be used as a reliable tool in mixture design of the UHPC.

Evaluation of the Utilization of Carbon Dioxide Microbubble Mixing Water for Mineral Carbonation of Cement Materials (시멘트 재료의 광물탄산화를 위한 이산화탄소 마이크로버블 배합수 활용성 평가)

  • Nam, Min-Seok;Park, Dong-Cheon
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2023.11a
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    • pp.205-206
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    • 2023
  • In this study, the characteristics of cement were analyzed using carbon dioxide microbubble water as a mixed water for mineral carbonation of cement materials. Carbon dioxide reacts with the calcium compound of cement to produce calcium carbonate and affects the initial strength improvement. Therefore, in this study, temperature, air content, thermal analysis, and compressive strength tests were conducted to confirm the reaction between cement materials and carbon dioxide. As a result of the measurement, the reaction between cement and carbon dioxide was confirmed in a specimen using carbon dioxide microbubble water as a mixed water, which affected the initial strength improvement.

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Development of Pavement method for Farm Roads (기계화 경작로의 포장공법 개발(지반공학))

  • 송창섭;리신호;오무영;성찬용
    • Proceedings of the Korean Society of Agricultural Engineers Conference
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    • 2000.10a
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    • pp.431-437
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    • 2000
  • The aim of the work described in this paper is to develope a pavement method for farm road. To this ends, a series of material test are conducted on in-situ soil which was mixed additives-coarse aggregate, polypropylene fiber, excellent soil compound etc. With the laboratory test results, in-situ pavement test was conducted during two years. The serious problem of the pavement is not appeared up to this time. And the measurement of field data is continued presently. The majority merits of this pavement method is low cost and using environmental materials.

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High-temperature oxidation of Ti3(Al,Si)C2 nano-laminated compounds in air

  • Lee, Hwa-Shin;Lee, Dong-Bok
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2007.11a
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    • pp.147-148
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    • 2007
  • The compound, Ti3(Al,Si)C2, was synthesized by hot pressing a powder mixture of TiCX, Al and Si. Its oxidation at 900 and 1000 oC in air for up to 50 h resulted in the formation of rutile-TiO2, -Al2O3 and amorphous SiO2. During oxidation, Ti diffused outwards to form the outer TiO2 layer, and oxygen was transported inwards to form the inner mixed layer.

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Electronic Structure Study of Gold Selenides

  • 이왕로;정동운
    • Bulletin of the Korean Chemical Society
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    • v.20 no.2
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    • pp.147-149
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    • 1999
  • The electronic structures of α- and β-gold selenides are studied. α- and β-AuSe are known as mixed valence compounds having linear (AuSe2, Au+) and square-planar (AuSe4, Au3+) units in their structure simultaneously. Our EHTB calculations, however, show that the oxidation states of Au in α- and β-AuSe are both close to +1. This is because the frontier orbitals are largely made up of Se p-orbitals and Au d-orbitals that lie well below the Fermi level. Our results are consistent with the recent X-ray absorption spectroscopy study on AuSe which show that all Au in the compound exhibit a monovalent state independent of their chemical environments.

EPR Spectra of ${\alpha}-1,2,3-[HPV(IV)V_2W_9O_{40]}^{6-}$, a Delocalized Mixed-Valence Compound

  • Hyunsoo So;Chul Wee Lee
    • Bulletin of the Korean Chemical Society
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    • v.11 no.2
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    • pp.115-118
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    • 1990
  • Solution and frozen solution EPR spectra of $\alpha-1,2,3-[HPV(IV)V_2W_9O_{40}]^{6-}$ have been analyzed. The isotropic hyperfine coupling constants remain constant at 350-77 K, indicating that the unpaired electron is delocalized over three vanadium atoms probably even in the ground state.

Experimental Studies on the Metabolism of Metoclopramide: The Effects of a Few Stabilizers (Metoclopramide의 생체내대사(生體內代謝)에 미치는 안정제(安定劑)의 영향에 관한 실험적(實驗的) 연구(硏究))

  • Jee, Ung-Kil
    • Journal of Pharmaceutical Investigation
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    • v.9 no.2
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    • pp.11-21
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    • 1979
  • It has been reported from our department that a few agents, such as $K_2S_2O_5,\;NaHSO_3,$ nicotinamide have a marked stabilizing effect in vitro on metoclopramide which is relatively unstable compound. In order to study the effect of these stabilizers on the action of metoclopramide in vitro, the fate of this compound combined with $K_2S_2O_5,\;NaHSO_3$ and nicotinamide, respectively, was studied and furthermore, the change of the biological activity of metoclopramide due to these stabilizers was studied by using the isolated stomach strip of rat. The blood concentration of metoclopramide was measured by using Bakke's method at the various time after intravenous injection of the mixed metoclopramide solution with the stabilizers. In order to study the excretion of the drug, rabbits were anesthesized and catheterized into bladder for withdrawal of urine. After intravenous injection of the mixed metoclopramide solution, urine was collected for 5 hours and the conjugated forms of metoclopramide as well as the free form were determined by using Arita's method. In the biological study of the metoclopramide combined with stabilizers, the contractability of the isolated rat stomach strip was observed by using polygraph recorder. The results were following: 1. When metoclopramide was administered with nicotinamide as stabilizer, the blood concentration of the unchanged from and the rate of the clearance of this compound were very similar to that of metoclopramide alone. On the other hand, other stabilizers, $K_2S_2O_5\;and\;NaHSO_3$, brought about 40% decrease in blood concentration of the unchanged form at 15 min after intravenous injection however, the rate of clearance of metoclopramide with $K_2S_2O_5\;or\;NaHSO_3$ was very slow. 2. In the case of urinary excretion, the excretory pattern of the metabolites of metoclopramide with $NaHSO_3$ or nicotinamide was very similar to that of metoclopramide alone. But metodopramide plus $K_2S_2O_5$ group showed the maked depression of excretion for first 1 hour. 3. In composition of metabolites, when metoclopramide was administered with $K_2S_2O_5$ or $NaHSO_3$, the sulfonate conjugation was predominant. But the glucuronic acid conjugation was predominant in metoclopramide plus nicotinamide gronp. 4. In the experiments on the biological activity of the metoclopramide, this compound exhibited the marked contracting effect in isolatd rat stomach strip. Specially, the meetoclopramide combined with $K_2S_2O_5$ showed the strong contraction of the isolated strip, suggesting the potenciating effect of $K_2S_2O_5$ on the action of metoclopramide in the isolated strip.

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A study of Frequency Distributions by the Action styles (작업환경에서 오는 시력분포 및 고찰)

  • Kang, Hyang Nyeo;Kim, Sung Tae
    • Journal of Korean Ophthalmic Optics Society
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    • v.5 no.2
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    • pp.99-105
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    • 2000
  • The classifying distribution by the action style was opticion 100, photoartist 100, college student 100 for the simple myopic 35%, for the simple myopic astigmatism 2%, for the compound myopic astigmatism 30.6% for the mixed astigmatism 62.6% for the compound hyperopic astigmatism 37.4% for the ratio of emmetropia 22.4% respectively. The retractive erroreye were -0.50~-2.00Dptr for the simple myopia 14%, -2.00~-6.00Dptr 16%, -6.00Dptr 5%, C-0.25(90.180)~C-2.00DptrAxis(90, 180) 2% for the simple myopicastigmatismS-0.25C-0.25DptrAxis(90, 180)~S-1.00C-1.00DptrAxis (90, 180) 22.6%, S-1.00C-1.00 DptrAxis (90, 180)~S-2.00C-2.00DptrAxis(90, 180) 8% for the compound myopic astigmatism. S+0.25C -0.25DptrAxis(90, 180)~S+2.00C-2.00DptrAxis(90,180) 6.2% for the mixed astigmatism. S+0.25C+0.25DptrAxis(90,180)~S+1.00C+1.00DptrAxis(90,180) 3.4%, S+1.00C+1.00DptrAxis(90,180)~S+2.00C+2.00DptrAxis(90,180) 0.34% for the compound hyperopic astigmatism.

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