• Title/Summary/Keyword: Mechanistic study

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The Prediction of Void Fraction in the Subcooled Boiling Region (서브쿨드 비등 영역에서의 기포계수 계산에 관한 연구)

  • Goon Cherl Park
    • Nuclear Engineering and Technology
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    • v.16 no.4
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    • pp.195-201
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    • 1984
  • A state-of-the-art mechanistic model has been developed to accurately predict the void fraction in the subcooled boiling region having axial nonuniform heat flux. In this study, the void-dependent drift-flux parameters of the Lahey/Ohkawa model were introduced and the mass flux-dependent condensation coefficient were determined by fitting with the experimental data. This model was tested against several experimental data sets to verify its accuracy. Finally the comparison between the predicted void fraction profiles with this model and the profile-fit model for the hot assembly of Kori-Unit 1, Cycle 1 has been performed. It is conclusive that the results show the good agreement between the measured and predicted void fractions, and the profile-fit model has been found to underestimate the void fraction in the subcooled boiling region.

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Kinetics and Mechanistic Chemistry of Oxidation of Butacaine Sulfate by Chloramine-B in Acid Medium

  • Shubha, Jayachamarajapura Pranesh;Kotabagi, Vinutha;Puttaswamy, Puttaswamy
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3539-3543
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    • 2012
  • Butacaine sulfate is an ester of p-aminobenzoic acid which has been widely used as a local anaesthetic and it is a long standing agent particularly for spinal anaesthesia. For this reason, a kinetic study of oxidation of butacaine sulfate by sodium N-chlorobenzenesulfonamide (chloramine-B or CAB) has been carried out in $HClO_4$ medium at 303 K in order to explore this redox system mechanistic chemistry. The rate shows a first-order dependence on both $[CAB]_o$, and $[substrate]_o$, and a fractional-order dependence on acid concentration. Decrease of dielectric constant of the medium, by adding methanol, increases the rate of the reaction. Variation of ionic strength and addition of benzenesulfonamide or NaCl have no significant effect on the rate. The reaction was studied at different temperatures and the activation parameters have been evaluated. The stoichiometry of the reaction has been found to be 1:2 and the oxidation products have been identified by spectral analysis. The observed results have been explained by plausible mechanism and the related rate law has been deduced.

Inhibition of lyosphosphatidic acid receptor 1 signaling in periodontal ligament stem cells reduces inflammatory paracrine effect in primary astrocyte cells

  • Kim, Dong Hee;Seo, Eun Jin;Kim, Young Hwan;Jang, Il Ho
    • International Journal of Oral Biology
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    • v.47 no.2
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    • pp.25-31
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    • 2022
  • Lysophosphatidic acid (LPA) is a bioactive lipid messenger involved in the pathogenesis of chronic inflammation and various diseases. Recent studies have shown an association between periodontitis and neuroinflammatory diseases such as Alzheimer's disease, stroke, and multiple sclerosis. However, the mechanistic relationship between periodontitis and neuroinflammatory diseases remains unclear. The current study found that lysophosphatidic acid receptors 1 (LPAR1) and 6 (LPAR6) exhibited increased expression in primary microglia and astrocytes. The primary astrocytes were then treated using medium conditioned to mimic periodontitis through addition of Porphyromonas gingivalis lipopolysaccharides, and an increased nitric oxide (NO) production was observed. Application of conditioned medium from human periodontal ligament stem cells with or without LPAR1 knockdown showed a decrease in the production of NO and expression of inducible nitric oxide synthase and interleukin 1 beta. These findings may contribute to our understanding of the mechanistic link between periodontitis and neuroinflammatory diseases.

A Numerical Study of the Characteristics of Heat Transfer in External Heat Exchanger of CFB Boiler (순환유동층보일러 외부열교환기의 열전달 특성에 관한 수치해석적 연구)

  • Hwang, Moonkyeong;Kim, Jungrae
    • 한국연소학회:학술대회논문집
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    • 2014.11a
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    • pp.15-16
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    • 2014
  • With the increasing trend in CFB(Circulating Fluidized Bed) boiler scale, the EHE(External Heat Exchanger) must be adopted to the large-scale boilers to recover insufficient heat transfer surface. In this study, the numerical analysis model for EHE in commercial 300MWe CFB boiler was developed with the inclusion of mechanistic model, which enables the heat transfer prediction. Finally, the calculated absorbed heat and derived heat transfer coefficient are evaluated through the verification with experimental data.

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Development of Mechanistic-empirical Joint Spacing Design Method for Concrete Pavements (역학적-경험적 콘크리트 포장 줄눈간격 설계방법 개발)

  • Park, Joo-Young;Hong, Dong-Seong;Lim, Jin-Sun;Jeong, Jin-Hoon
    • International Journal of Highway Engineering
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    • v.13 no.4
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    • pp.51-59
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    • 2011
  • Tensile stress occurs and random crack develops in concrete pavement slab when it contracts by variation of temperature and humidity. The tensile stress decreases and the random crack is minimized by sawcutting the slab and inducing the crack with regular spacing. The random crack, joint damage, decrease of load transfer efficiency are caused by too wide joint spacing while too narrow joint spacing leads to increase of construction cost and decrease of comfort. A mechanistic-empirical joint spacing design method for the concrete pavement was developed in this study. Structurally and environmentally weakest sections were found among the sections showing good performance, and design strengths were determined by finite element analysis on the sections. The joint width for which the load transfer efficiency is suddenly lowered was determined as allowable joint with referring to existing research results. The maximum joint spacing for which the maximum tensile stress calculated by the finite element analysis did not exceed the design strength were found. And the maximum joint width expected by the maximum joint spacing were compared to the allowable joint width. The new method developed in this study was applied to two zones of Hamyang-Woolsan Expressway being designed. The same joint spacing as a test section constructed by 8.0m of joint spacing wider than usual was calculated by the design method. Very low cracking measured at 6 years after opening of the test section verified the design method developed in this study.

A Crossed Beam Study of Atom-Radical Reaction Dynamics (원자-라디칼 반응 동력학의 교차 빔 연구)

  • Ju Seon-Gyu;Gwon Lee-Gyeong;Lee Ho-Jae;Choe Jong-Ho
    • Proceedings of the Korea Air Pollution Research Association Conference
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    • 2003.05b
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    • pp.163-164
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    • 2003
  • Reaction dynamics plays an essential role in understanding the microscopic mechanism of elementary chemical processes at the molecular level. Detailed studies of the reactions of atomic species such as hydrogen and second-row atoms with small closed-shell molecules have provided important insights into hydrocarbon synthesis, combustion, interstellar space and atmospheric chemistry. Despite its mechanistic significance, however, the investigations of atom-radical reaction dynamics are quite scarce in comparison to the extensive studies of atom-molecule reactions. (omitted)

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Mechanistic Investigation of the Copper(I)-Catalyzed Trifluoromethylthiolation Using Sulfonyl Hypervalent Iodonium Ylide as the SCF3 Source: A DFT Study

  • Park, Yoonsu;Jung, Yousung
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.337-346
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    • 2014
  • Trifluoromethylthiol functional group(이하 -SCF3)은 약학적으로 유용한 물질이다. 이 연구는 최근 개발된 Shibata의 Direct trifluoromethylthiolation reaction의 반응 메커니즘을 계산화학적으로 평가했다. 반응 메커니즘은 크게 Carbene formation, Rearrangement, Electrophilic SCF3 reagent generation 세 단계로 나눌 수 있다. 각 과정에 대해 구조에 대한 full optimization이 진행되었고, 특히 alpha-carbene sulfonyl species의 thermal rearrangement에 관한 첫번째 계산화학적 평가가 이루어졌다.

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Ice Surface Chemistry: Implication for Molecular Evolution in Space

  • Gang, Heon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.65.1-65.1
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    • 2013
  • Icy dust particles in interstellar clouds are considered to play a catalytic role in molecular evolution in space. Atoms and simple molecules constituting the ice mantles of dust particles may be transformed into more complex molecules under the irradiation of UV and cosmic rays. This seminar will present our recent study results for chemistry of ice surfaces, with the emphases on the mechanistic features of elementary reactions and the implications for interstellar molecular evolution. The types of reactions studied include molecule diffusion in ice, proton and hydroxide transfers, and some UV-induced reactions wih astrobiological relevance.

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Mechanism for Chemiluminescent Reactions of Bis(2,4,6-trichlorophenyl)oxalate, Hydrogen Peroxide and Fluorescent Aromatic Hydrocarbons

  • Song Hyung-Soo;Shin Hyung Seon;Kim Kang-Jin
    • Bulletin of the Korean Chemical Society
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    • v.9 no.1
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    • pp.17-21
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    • 1988
  • A mechanistic study on the chemiluminescence resulting from the reaction between bis(2,4,6-trichlorophenyl)oxalate(TCPO) and hydrogen peroxide in the presence of fluorescent polycyclic aromatic hydrocarbons in a viscous phthalate medium has been conducted. The rate determining step, decay rate constants, and relative quantum efficiencies yielded by varying the concentration of reagents generally support an existing mechanism. However, a reaction between TCPO and sodium salicylate was not observed.

Peroxy Acid Oxidations: A Kinetic and Mechanistic Study of Oxidative Decarboxylation of $\alpha$-Keto Acids by Peroxomonophosphoric Acid

  • Radhasyam Panda
    • Bulletin of the Korean Chemical Society
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    • v.22 no.8
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    • pp.909-913
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    • 2001
  • The kinetics of oxidative decarboxylation of pyruvic acid and benzoylformic acid by peroxomonophosphoric acid (PMPA) in aqueous medium have been investigated. The reaction follows second order-first order each in PMPA and substrate concentration a t constant pH. The reactivity of different peroxo species in the oxidation has been determined. Activation energy and thermodynamic parameters have been computed. A plausible mechanism consistent with the observed results is proposed.