• Title/Summary/Keyword: Reactivity Coefficients

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MO Theoretical Studies on Organic Accelerators of Vulcanization (유기 가황촉진제에 관한 분자 궤도론적 연구)

  • Ikchoon Lee
    • Journal of the Korean Chemical Society
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    • v.15 no.6
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    • pp.359-366
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    • 1971
  • The extended Huckel calculations on five organic accelerators of vulcanization have been carried out. Various MO quantities e.g., electron populations and AO coefficients, are used to explain accelerator reactivity of the compounds. Results of these analyses lead us to support free radical mechanism of acceleration in vulcanization.

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Quality Indexes for the Evaluation of Cigarette Smoke. (담배연기의 평가를 위한 새로운 계수)

  • 신영국;노동석;유광근
    • Journal of the Korean Society of Tobacco Science
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    • v.3 no.2
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    • pp.123-128
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    • 1981
  • For evaluating the cigarette smoke quality of nonblended and commercial cigarettes, four modified smoke quality indexes were deduced from considering the reactivity of the thiol group in cystine (SH value) with the cigarette smoke constituents, and from the maximum limited contents of tar. nicotine, and carbon monoxide for the less harmful cigarettes. These results were discussed with respect to correlation coefficients between the indexes and tar/nicotine ratio which had been known reliable for smoke quality evaluation. Among the three indexes, the SH/[(N/O.6) +($\frac{C+T}{8}$)] index was found to be the most reliable and applicable.

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Effect of Blending Materials on the Durability of Concrete (I) Diffusion of Cl-ions through Hardened Cement Paste (염분환경하 콘크리트 경화체의 내구성에 미치는 혼합재의 영향 (I) 시멘트 경화체중에서의 Cl-이온의 확산)

  • 김남중;최상흘;정재동;한기성
    • Proceedings of the Korea Concrete Institute Conference
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    • 1991.10a
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    • pp.11-14
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    • 1991
  • Apparent diffusion coefficients of Cl-ions through hardened cement paste(HCP), which were partly substituted blending materials, were determined. Also, pore solution was extracted from HCP which were immersed in NaCl solution, and Cl- concentration of the solution were analyzed. Partly substitution of pozzolanic materials considerably reduced the diffusion rate for Cl-ions and Cl- concentration of pore solution. Binding capacity of Cl- is related to the content of Al2O3 and pozzolanic reactivity.

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Structure-Reactivity Relationship of Benzyl Benzenesulfonates. Part 4. Application of Correlation Interaction Coefficients

  • 여수동;정덕영;박종환;김성홍;황규탁
    • Bulletin of the Korean Chemical Society
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    • v.19 no.4
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    • pp.434-436
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    • 1998
  • The mechanism of nucleophilic displacement was studied by using three variable systems of ${\rho}_X,\; {\rho}_Y,\; and {\rho}_Z$ obtained from the change of substituent X, Y, and Z for the reaction of (Z)-substituted benzyl (X)-benzensulfonates with (Y)-substituted thiobenzamides in acetone at 45 ℃. The results ${\rho}_Z$<0 and ${\rho}_YZ$>${\rho}_XZ$ indicate that this reaction series proceeded via a dissociative $S_N2$ mechanism. The prediction of the movement of TS by using the sign of ${\rho}_XZ{\cdot}{\rho}_{YZ}$ accorded with the Hammond postulate.

Diffusion study for chloride ions and water molecules in C-S-H gel in nano-scale using molecular dynamics: Case study of tobermorite

  • Zehtab, Behnam;Tarighat, Amir
    • Advances in concrete construction
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    • v.4 no.4
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    • pp.305-317
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    • 2016
  • Porous materials such as concrete could be subjected to aggressive ions transport. Durability of cement paste is extremely depended on water and ions penetration into its interior sections. These ions transport could lead different damages depending on reactivity of ions, their concentrations and diffusion coefficients. In this paper, chloride diffusion process in cement hydrates is simulated at atomistic scale using molecular dynamics. Most important phase of cement hydrates is calcium silicate hydrate (C-S-H). Tobermorite, one of the most famous crystal analogues of C-S-H, is used as substrate in the simulation model. To conduct simulation, a nanopore is considered in the middle of simulation cell to place water molecules and aggressive ions. Different chloride salts are considered in models to find out which one is better for calculation of the transport properties. Diffusion coefficients of water molecules and chloride ions are calculated and validated with existing analytical and experimental works. There are relatively good agreements among simulation outputs and experimental results.

Detection of Fusarium Species by Enzyme-Linked Immunosorbent Assay Using Monoclonal Antibody

  • Kwak, Bo-Yeon;Kwon, Byung-Joon;Kweon, Chang-Hee;Shon, Dong-Hwa
    • Journal of Microbiology and Biotechnology
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    • v.13 no.5
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    • pp.794-799
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    • 2003
  • Enzyme-linked immunosorbent assay (ELISA) was developed for the rapid detection of Fusarium species, known as harmful fungi in food. One of the hybridoma cell lines (lB8) which produced a monoclonal antibody (Mab) specific to Fusarium extracellular polysaccharide (EPS) was screened and the Mab was produced and purified. A detection limit of the sandwich ELISA against F. moniliforme EPS was $0.001\;\mu\textrm{g}/ml$ in the standard curve. Among the 59 strains tested, most Fusarium species showed hight reactivity with Mab lB8, even when the culture broths were diluted 100,000 times. On the other hand, the other genera, except A. versicolor and Trichoderma viride, had no reactivity. When 1 to $100\;\mu\textrm{g}$ of F. moniliforme EPS was spiked into rice, potato, and mandarine orange, the average recoveries were 151%, 84%, and 94%, respectively, determined by sandwich ELISA. The correlation coefficients between the EPS levels determined by sandwich ELISA and the dry mycelial weight of the liquid culture of F. moniliforme, as well as between the EPS and colony forming unit in solid culture of potato, were 0.97 and 0.91, respectively.

Investigating Heavy Water Zero Power Reactors with a New Core Configuration Based on Experiment and Calculation Results

  • Nasrazadani, Zahra;Salimi, Raana;Askari, Afrooz;Khorsandi, Jamshid;Mirvakili, Mohammad;Mashayekh, Mohammad
    • Nuclear Engineering and Technology
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    • v.49 no.1
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    • pp.1-5
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    • 2017
  • The heavy water zero power reactor (HWZPR), which is a critical assembly with a maximum power of 100 W, can be used in different lattice pitches. The last change of core configuration was from a lattice pitch of 18-20 cm. Based on regulations, prior to the first operation of the reactor, a new core was simulated with MCNP (Monte Carlo N-Particle)-4C and WIMS (Winfrith Improved Multigroup Scheme)-CITATON codes. To investigate the criticality of this core, the effective multiplication factor ($K_{eff}$) versus heavy water level, and the critical water level were calculated. Then, for safety considerations, the reactivity worth of $D_2O$, the reactivity worth of safety and control rods, and temperature reactivity coefficients for the fuel and the moderator, were calculated. The results show that the relevant criteria in the safety analysis report were satisfied in the new core. Therefore, with the permission of the reactor safety committee, the first criticality operation was conducted, and important physical parameters were measured experimentally. The results were compared with the corresponding values in the original core.

Coupled neutronics/thermal-hydraulic analysis of ANTS-100e using MCS/RAST-F two-step code system

  • Tung Dong Cao Nguyen;Tuan Quoc Tran;Deokjung Lee
    • Nuclear Engineering and Technology
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    • v.55 no.11
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    • pp.4048-4056
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    • 2023
  • The feasibility of using the Monte Carlo code MCS to generate multigroup cross sections for nodal diffusion simulations RAST-F of liquid metal fast reactors is investigated in this paper. The performance of the MCS/RAST-F code system is assessed using steady-state simulations of the ANTS-100e core. The results show good agreement between MCS/RAST-F and MCS reference solutions, with a keff difference of less than 77 pcm and root-mean-square differences in radial and axial power of less than 0.5% and 0.25%, respectively. Furthermore, the MCS/RAST-F reactivity feedback coefficients are within three standard deviations of the MCS coefficients. To validate the internal thermal-hydraulic (TH) feedback capability in RAST-F code, the coupled neutronic/TH1D simulation of ANTS-100e is performed using the case matrix obtained from MCS branch calculations. The results are compared to those obtained using the MARS-LBE system code and show good agreement with relative temperature differences in fuel and coolant of less than 0.8%. This study demonstrates that the MCS/RAST-F code system can produce accurate results for core steady-state neutronic calculations and for coupled neutronic/TH simulations.

A Study on the Relationship between Self-Actualization and Preference in Clothing Design of Individualist and Conformist (개성.동조 추구자의 디자인 선호도와 자아실현과의 상관성 연구)

  • 강경자;임지영
    • The Research Journal of the Costume Culture
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    • v.8 no.3
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    • pp.422-435
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    • 2000
  • In this study female college students having high interest in fashion were selected by homogeneous purposive sampling. The students were classified into two groups. 301 Students living in Chinju were asked on self-actualization and design preference. The date of respondents were analyzed by Pearson's correlation coefficients and t-test. The results of this study can be summarized as follows. 1. The line preference, chroma, thickness and weight of clothing textile were different in these two groups. 2. The students of individuality had self-actualization, feeling reactivity, self-regard, existentiality and capacity of intimate contact. 3. There were significant relation between self-actualization and the preference for clothing form, color and texture in two groups.

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Kinetics and Mechanism of the Aminolysis of Thiophenyl Acetates in Acetonitrile

  • 오혁근;양진희;이해황;이익춘
    • Bulletin of the Korean Chemical Society
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    • v.20 no.12
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    • pp.1418-1420
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    • 1999
  • Kinetics and mechanism of the aminolysis of Z-thiophenyl acetates with X-benzylamines are investigated in acetonitrile at 45.0 ℃. The magnitudes of Bronsted coefficients β$_x$ (=1.3~-1.6) and β$_z$ (= -2.1~-2.4) are all large and cross-interaction constant ρxz is relatively large and positive (0.90). These trends are consistent with the rate-limiting breakdown of a tetrahedral intermediate, $T^±$. The proposed mechanism is also supported by adherence of the rate data to the reactivity-selectivity principle (RSP). The kinetic isotope effects, $k_H/k_D$, are greater than unity (1.3-1.4) suggesting a possibility of hydrogen-bonded four-centered transition state. The activation parameters, ΔH$^≠$ and ΔS$^≠$, are consistent with this transition-state structure.