• Title/Summary/Keyword: Reaction model

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The SrLiAl3N4:Eu2+ Phosphor Synthesized by the Raw Material Model Obtained by DFT Calculations

  • Park, Woon Bae
    • Journal of the Korean Ceramic Society
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    • v.54 no.3
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    • pp.217-221
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    • 2017
  • Improvement studies of existing phosphors are needed for use in light emitting diodes (LEDs). Among the phosphors discovered recently, the SLA ($SrLiAl_3N_4:Eu^{2+}$) is a phosphor that has a narrow width. It is now known as a good red phosphor that meets the industry's needs for warm white (color temperature ranging from 2700 to 4000 K) and high CRI (> 80). However, SLA phosphors are obtained from difficult synthetic methods. All commercially available phosphors should be derived from the general solid state synthesis method. The phosphors produced by difficult synthetic methods will inevitably fall out of price competitiveness and will be scrapped. This study succeeded in synthesizing SLA ($SrLiAl_3N_4:Eu^{2+}$) phosphors by using a general solid phase synthesis method based on the reaction energy obtained from DFT calculations. As a result, we found an optimal solid state synthesis method for SLA phosphors.

Photochemistry and Thermochemistry of Picolyl Chlorides

  • Shim, Sang-Chul;Kim, Sung-Sik
    • Bulletin of the Korean Chemical Society
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    • v.3 no.3
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    • pp.110-115
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    • 1982
  • Thermochemistry and photochemistry of picolyl chlorides were studied. The thermal reaction of 2-picolyl chloride in benzene afforded intermolecular condensation product. In the case of 3-picolyl chloride, this type of the reaction did not occur, but polymers were obtained. A cyclic hexamer, suggested by a molecular model, was not formed because of the steric strain and low reactivity. The thermal reaction of 4-picolyl chloride gave a cyclic hexamer as well as a polymer. The cyclic hexamer, identified by NMR spectrum, showed ${\lambda}_{max}$ at 460 nm. The cyclic hexamer was cloven to the linear structure. Photolysis of 2-picolyl chloride at 253.7 nm gave a para-isomer followed by polymerization. When a methyl hydrogen of 2-methylpyridine is substituted by $CH_3O$, iso-PrO, and EtO group, the photoisomerization to the corresponding anilines or para-substituted pyridines did not occur within the range of the time used for 2-picolyl chloride. Thermolysis of picolyl chlorides in an acidic methanol solution did not afford any product.

Hydroxy-Substituted Polyenaminonitrile as a Soluble Precursor for Rigid-Rod Polybenzoxazole

  • Kim, Ji Heung;Lee, Jae Gwan
    • Bulletin of the Korean Chemical Society
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    • v.22 no.9
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    • pp.999-1004
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    • 2001
  • (1-Chloro-2,2-dicyanovinyl)benzene or 1,4-bis(1-chloro-2,2-dicyanovinyl)benzene was reacted with 2-amino-phenol to give the model compound, hydroxy enaminonitrile, which was found to undergo thermal cyclization reaction to form the corresponding benzoxazole. This intramolecular cyclization reaction is expected to occur through nucleophilic attack to electropositive enamine carbon by ortho-hydroxy group on the phenyl ring, which is accompanied by the release of neutral malononitrile through rearrangement. From each bifunctional monomer, o-hydroxy substituted polyenaminonitrile was prepared and characterized as a new precursor polymer for well-known aromatic polybenzoxazole. Also the unusual macrocyclic dimer formation from the 1,4-bis(1-chloro-2,2-dicyanovinyl)benzene and 2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane polymerization reaction system was discussed. The thermal cyclization reactions and the properties of polymers were investigated using FT-IR and thermal analysis (DSC & TGA).

An innovative method for determining the diffusion coefficient of product nuclide

  • Chen, Chih-Lung;Wang, Tsing-Hai
    • Nuclear Engineering and Technology
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    • v.49 no.5
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    • pp.1019-1030
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    • 2017
  • Diffusion is a crucial mechanism that regulates the migration of radioactive nuclides. In this study, an innovative numerical method was developed to simultaneously calculate the diffusion coefficient of both parent and, afterward, series daughter nuclides in a sequentially reactive through-diffusion model. Two constructed scenarios, a serial reaction (RN_1 ${\rightarrow}$ RN_2 ${\rightarrow}$ RN_3) and a parallel reaction (RN_1 ${\rightarrow}$ RN_2A + RN_2B), were proposed and calculated for verification. First, the accuracy of the proposed three-member reaction equations was validated using several default numerical experiments. Second, by applying the validated numerical experimental concentration variation data, the as-determined diffusion coefficient of the product nuclide was observed to be identical to the default data. The results demonstrate the validity of the proposed method. The significance of the proposed numerical method will be particularly powerful in determining the diffusion coefficients of systems with extremely thin specimens, long periods of diffusion time, and parent nuclides with fast decay constants.

Theoretical Studies on the Photocycloaddition Reaction of Psoralen with Thymidine

  • Kim, Ja-Hong;Oh, Se-Woung;Lee, Yoon-Sup;Shim, Sang-Chul
    • Bulletin of the Korean Chemical Society
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    • v.8 no.4
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    • pp.298-300
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    • 1987
  • The theoretical studies on the photocycloaddition reaction of 5,7-dimethoxycoumarin and 4',5'-dihydropsoralen with thymidine were carried out as a model for photosensitizing reaction of psoralen with DNA. The results are in reasonable agreement with experimental observations. The photoadducts between dimethoxycoumarin and thymidine were predicted to be $C_{4}$-cycloadducts through the cycloaddition of 3,4-pyrone double bond of dimethoxycoumarin to 5,6 double bond of thymidine. The major photoadduct of 4',5'-dihydropsoralen with thymidine has the anti head-to-head stereochemistry.

Reaction Rate Analysis of Combustion for Indonesian Coal Char Applied by External/Internal Diffusion (외부 및 내부 확산을 적용한 인도네시아 석탄촤의 연소 반응율 분석)

  • Hwang, Chan-Won;Kim, Ryang-Gyoon;Ryu, Kwang-Il;Wu, Ze-Lin;Jeon, Chung-Hwan
    • Korean Chemical Engineering Research
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    • v.52 no.1
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    • pp.133-140
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    • 2014
  • The experiment was designed to compare the char combustion kinetics of pulverized Indonesia coals commonly utilized in Korea power plants. The reaction rate of coal char has been formulated using the external and internal effectiveness factors to describe the diffusion effect quantitatively. The Random Pore Model (RPM) was used for applying internal specific surface area as a function of carbon conversion ratio. Reaction rate was obtained from reaction time using the Wire Heating Reactor (WHR) which can heat and measure the char particle temperature at the same time. BET and TGA were used to obtain physical properties such as internal specific surface area and structural parameter. Three kinds of Indonesia Sub-bituminous coals "BARAMULTI, ENERGYMAN, AGM" were used in order to derive the activation energy and pre-exponential factor. The results of this study showed that the effect of internal diffusion than that of external diffusion is the dominant as comparison of kinetics was reflected in external and internal effectiveness factors. For three kinds of coal char, finally, activation energy of intrinsic kinetics indicates 110~118 kJ/mol.

Kinetic study on Low-rank Coal Including K2CO3, Na2CO3, CaCO3 and Dolomite Gasification under CO2 Atmosphere (이산화탄소 분위기에서 K2CO3, Na2CO3, CaCO3 및 Dolomite가 첨가된 저급탄의 가스화에 대한 반응특성연구)

  • Hwang, Soon Choel;Kim, Sang Kyum;Park, Ji Yun;Lee, Do Kyun;Lee, Si Hyun;Rhee, Young Woo
    • Clean Technology
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    • v.20 no.1
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    • pp.64-71
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    • 2014
  • We have investigated the effects of various additives on Eco coal gasification under $CO_2$ atmosphere. The temperature ranges from $750{\sim}900^{\circ}C$ and the gasification experimental was carried out with Eco coal adding 7 wt% $K_2CO_3$, $Na_2CO_3$, $CaCO_3$, Dolomite, and non-additive under $N_2$ and $CO_2$ gas mixture. At $850^{\circ}C$, we observed that the reaction rate increased when the concentration of $CO_2$ increased. However, we also observed that the increment of reaction rate was small at more than 70% of the concentration of $CO_2$. The additives activity was ranked as 7 wt% $Na_2CO_3$ > 7 wt% $K_2CO_3$ > non-additive > 7 wt% Dolomite > 7 wt% $CaCO_3$ at $850^{\circ}C$. At the temperatures of $750^{\circ}C$, $800^{\circ}C$, $850^{\circ}C$, and $900^{\circ}C$, when the temperature increased, the gasification rate increased. The gasification was suitably described by the volumetric reaction model. Using volumetric reaction model, the activation energy of Eco coal including 7 wt% $Na_2CO_3$ gasification was 83 kJ/mol, which was the lowest value among all the alkaline additives.

The Linkage Strategies Between Productivity Metrics and Financial Accounting Metrics in TPM and PAC Activities (TPM, PAC 활동에서 생산성지표와 재무회계 지표의 연계방안 전략)

  • Choi, Sungwoon
    • Journal of the Korea Safety Management & Science
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    • v.15 no.3
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    • pp.151-161
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    • 2013
  • This paper proposes a strategic model of linkage between productivity metrics and financial accounting metrics to properly evaluate the financial effect of TPM activities and the business performance. This linkage strategy provides a connection tool for clear communication between factory-level and headquarters that the metrics proposed by this paper ultimately improves a quality of support from the management by receiving the factors required for productivity activities in the practical field. This factor includes such as equipment, raw materials and labors. Here, we propose that chain reaction models using break down structure of productivity metrics and financial metrics enhance the knowledge sharing of KPI (Key Performance Indicator) which generally tend to create oversimplified communication between management in headquarters and employees in the practical fields. The productivity metrics include OEE(Overall Equipment Effectiveness) of TPM (Total Productive Maintenance), OLE (Overall Labor Effectiveness) of PAC(Performance and Analysis and Control) activities, and OYE (Overall Yield Effectiveness) of TMM(Total Material Management) activities. The financial accounting metrics include ROE(Return on Equity), ROA(Return on Asset), and AVR(Added-Value Rate). The suggested chain reaction model selects the financial metrics as initial stage and branch down until final stage of productivity metrics. When demand exceeds supply, an ideal speed rate, the lean OEE strategy can be initially applied to reduce the gap between the demand and supply, then apply variable costing to estimate correct amount of operating profit. In addition, the paper presents a new type of model for linkage between financial accounting metrics including CAPEX(Capital Expenditure), OPEX(Operating Expenditure), EVA(Economic Added Value), DCL(Degree of Combined Leverage), and TPM productivity activities including AM(Autonomous Maintenance), PM(Preventive Maintenance), MP(Maintenance Prevention) and QM(Quality Maintenance). In order to support the evidence of proposed linkage strategy, a case analysis on 52 projects from national TPM contest from 2011 to 2012 is analyzed. The case presents the classification of CAPEX and OPEX activities from TPM, and proposes the correct implementation of financial effect for TPM projects.

Robust Position Control of a Reaction Wheel Inverted Pendulum (원판의 반작용을 이용한 역진자의 강인 자세 제어)

  • Park, Sang-Hyung;Lee, Hae-Chang;Lim, Seong-Muk;Kim, Jung-Su
    • Journal of the Korean Institute of Intelligent Systems
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    • v.26 no.2
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    • pp.127-134
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    • 2016
  • This paper presents a robust control of a reaction wheel inverted pendulum. To this end, a mathematical model is derived using physical laws, and then parameters in the model are identified as well. Based on the model, a robust position control is designed, which consists of two parts: swing-up control using passivity and robust stabilization control using LMI (Linear Matrix Inequality). When the pendulum starts to move, the swing-up control is applied. If the position of the pendulum is near the desired upright position, the control is switched to the robust stabilization control. This robust control is employed in order to deal with the uncertainties in the inertia of the pendulum dynamics. The performance of the proposed control scheme is validated not only simulation but also real experiment.

Leaching Kinetics of Yttrium Extraction from Coal Fly Ash using Sulfuric Acid

  • Kim, Jae-kwan;Park, Seok-un;Hong, Jun-seok;Shin, Dong-ik;Jeong, Jae-hyeok
    • KEPCO Journal on Electric Power and Energy
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    • v.3 no.1
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    • pp.29-34
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    • 2017
  • Leaching kinetics for extracting yttrium from the coal fly ash was investigated in the presence of sulfuric acid during extraction. The leaching kinetics of yttrium were conducted at reactant densities of 5~1,000 g coal fly ash per L of $1.0{\sim}10.0N\;H_2SO_4$, agitation speed of 250 rpm and temperature ranging from 30 to $90^{\circ}C$. As a result, the leaching kinetic model was determined in a two-step model based on the shrinking core model with spherical particles. The first step was proceeded by chemical reaction at ash surface, and the second step was proceeded by ash layer diffusion because the leaching conversion of yttrium by the first chemical reaction increases with increased the time irrelevant to the temperature whereas it increases with increased the leaching temperature. The activation energy of the first chemical leaching step was determined to be $1.163kJmol^{-1}$. After the first chemical reaction, the activation energy of ash layer diffusion leaching was derived to be $41.540kJmol^{-1}$. The optimum conditions for leaching the yttrium metal of 60 % were found to be the slurry density of 250 g fly ash per L of $H_2SO_4$, solvent concentration of $2.0N\;H_2SO_4$, second step leaching of temperatures of $30^{\circ}C$ for 3 hours and then $90^{\circ}C$ for 3 hours at agitation rate of 250 rpm.