• Title/Summary/Keyword: 4-step Oxidation Model

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Prediction Modeling of Unburned Hydrocarbon Oxidation in the Exhaust Port of a Propane-Fueled SI Engine (프로판 엔진의 배기 포트에서 탄화수소 산화 예측을 위한 모델링)

  • 이형승;박종범;최회명;민경덕;김응서
    • Transactions of the Korean Society of Automotive Engineers
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    • v.8 no.2
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    • pp.33-40
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    • 2000
  • In order to investigate the exhaust structure and secondary oxidation of unburned hydrocarbon (HC) in the exhaust port, a numerical simulation was performed with 3-dimensional flow model and oxidation mechanism optimized for port oxidation. To predict the exhaust and oxidation process with consideration of flow, mixing, and temperature, 3-dimensional flow model and HC oxidation model were used with a commercial computational program, STAR-CD. The flow model were with moving grid for valve motion, which could predict the change of flow field with respect to valve lift. Optimization was performed to predict the HC oxidation with temperature range of 1200~1500K, low HC and oxygen concentration, existence of intermediate species, as typical in port oxidation. The constructed model could predict the port oxidation process with oxidation degree of 14~48% according to the engine operation conditions.

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Piston Crevice Hydrocarbon Oxidation During Expansion Process in an SI Engine

  • Kyoungdoug Min;Kim, Sejun
    • Journal of Mechanical Science and Technology
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    • v.17 no.6
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    • pp.888-895
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    • 2003
  • Combustion chamber crevices in SI engines are identified as the largest contributors to the engine-out hydrocarbon emissions. The largest crevice is the piston ring-pack crevice. A numerical simulation method was developed, which would allow to predict and understand the oxidation process of piston crevice hydrocarbons. A computational mesh with a moving grid to represent the piston motion was built and a 4-step oxidation model involving seven species was used. The sixteen coefficients in the rate expressions of 4-step oxidation model are optimized based on the results from a study on the detailed chemical kinetic mechanism of oxidation in the engine combustion chamber. Propane was used as the fuel in order to eliminate oil layer absorption and the liquid fuel effect. Initial conditions of the burned gas temperature and in-cylinder pressure were obtained from the 2-zone cycle simulation model. And the simulation was carried out from the end of combustion to the exhaust valve opening for various engine speeds, loads, equivalence ratios and crevice volumes. The total hydrocarbon (THC) oxidation in the crevice during the expansion stroke was 54.9% at 1500 rpm and 0.4 bar (warmed-up condition). The oxidation rate increased at high loads, high swirl ratios, and near stoichiometric conditions. As the crevice volume increased, the amount of unburned HC left at EVO (Exhaust Valve Opening) increased slightly.

Modeling of Piston Crevice Hydrocarbon Oxidation in SI Engines (전기점화 기관 간극 체적 내 미연탄화수소의 산화 모델링)

  • Choi, Hoi-Myung;Kim, Se-Jun;Min, Kyung-Doug
    • Proceedings of the KSME Conference
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    • 2001.06d
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    • pp.884-889
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    • 2001
  • Combustion chamber crevices in SI engines are identified as the largest contributor to the engine-out hydrocarbon emissions. The largest of crevice region is the piston ring pack crevice. To predict and understand the oxidation process of piston crevice hydrocarbons, a 3-dimensional numerical simulation method was developed. A engine shaped computational mesh with moving grid for piston and valve motions was constructed. And a 4-step oxidation model involving 7 species was used and the 16 coefficients in the rate expressions were optimized based on the results from a detailed chemical kinetic mechanism for the oxidation condition of engine combustion chamber. Propane was used as a fuel in order to eliminate oil layer absorption and liquid fuel effect.

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Kinetic Model for Oxidation of Carbon Fiber/Glass Matrix Composites

  • Park, Chan;Park, Hee-Lack
    • The Korean Journal of Ceramics
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    • v.4 no.3
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    • pp.254-259
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    • 1998
  • A kinetic model predicting the oxidation of carbon fiber reinforced glass matrix composites has been described. The weight loss of composites during oxidation implied that a gasification of carbon fiber takes place and the transport of reactants $(O_2)$ or product (CO or $CO_3$) in the glass matrix was partially the rate controlling step. The kinetic model in this study was based on the work of Sohn and Szekely which may be regarded as a generalization of numerous models in the gas-solid reaction system. A comparison of this model with experimental data is also presented.

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Revised Crackling Core Model Accounting for Fragmentation Effect and Variable Grain Conversion Time : Application to UO2 Sphere Oxidation (파편화 효과와 결정립 가변 전환시간을 고려한 Crackling Core Model의 개선 : UO2 구형 입자의 산화거동으로의 적용)

  • Lee, Ju Ho;Cho, Yung-Zun
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.16 no.4
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    • pp.411-420
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    • 2018
  • This study presents a revised crackling core model for the description of $UO_2$ sphere oxidation in air atmosphere. For close reproduction of the sigmoid behavior exhibited in $UO_2$ to $U_3O_8$ conversion, the fragmentation effect contributing to the increased reactive surface area and the concept of variable grain conversion time were considered in the model development. Under the assumptions of two-step successive reaction of $UO_2{\rightarrow}U_3O_7{\rightarrow}U_3O_8$ and final grain conversion time equivalent to ten times the initial grain conversion time, the revised model showed good agreement with the experimental data measured at 599 - 674 K and a lowest deviation when compared with Nucleation and Growth model and AutoCatalytic Reaction model. The evaluated activation energy at 100% conversion to $U_3O_8$, $57.6kJ{\cdot}mol^{-1}$, was found to be closer to the experimentally extrapolated value than to the value determined in AutoCatalytic Reaction model, $48.6kJ{\cdot}mol^{-1}$.

Antigastritic and Antiulcer action of Effective Compounds from Propolis Extract (Propolis 유효성분의 항위염 및 항위궤양 작용)

  • 김은주;정춘식;정기화
    • Biomolecules & Therapeutics
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    • v.7 no.4
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    • pp.362-370
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    • 1999
  • Propolis, a natural resinous compound collected from honey bees, contains many biochemical constituents(wax, flavonoids, phenolic compounds, etc.) and has been used in traditional medicines as early as 300 B.C. It was been demonstrated that ethanol, acetylsalicylic acid, ischemia reperfusion, non-steroidal antiin-flammatory drugs and stress induce gastric lesions by promoting the generation of reactive oxygen metabolites. Therefore, some drugs that are capable of scavenging or inhibiting the generation of reactive oxygen radicals might be expected to prevent the gastric mucosal injury. The aim of this study was 1) to examine the antiulcer effect of propolis, 2) to investigate the mechanism of action by determining gastric acid secretion, lipid per-oxidation, mucus content and proton pump ($H^+$/$K^+$-ATPase) activity on gastric mucus in varios experimental models, and finally, 3) to isolate and identify the pure compounds that exert antiulcer activity. Step 2-1 and 2-3 sub-sub fraction shoed a significant reduction of severity of gastirc damage at the dose of 25 mg/kg in various experimental models. We isolated 4 sub-sub-sub fractions by flash column chromatography of Step 2-1 sub-sub fraction and one sub-sub-sub fraction by recrystalization of Step 2-3 sub-sub fraction. The protective effects of propolis sub-sub-sub fraction manifested sifnificant effects in HCl-ethanol induced gastric erosion model and aspirin induced gastric ulcer model. These results showed that the gastric mucosal protective effect of propolis might result from the increase of mucus secretion, free radical scavenging effect as well as the reduction of acid secretion in accordance with the reduction of $H^+$/$K^+$-ATPase activitv. Three compounds were isolated and identified from sub-sub fraction of propolis which showed antiulcer effects. Subsequently, these compounds were identified as a flavonoid, namely, 2-acetoxy-5,7,-dihydroxy-flavanone, galangin and chrysin.

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Modeling Fate and Transport of Organic and Nitrogen Species in Soil Aquifer Treatment-(II) Simulations Based on the Field Conditions (토양/대수층 처리(Soil Aquifer Treatment)에서 유기물과 질소화합물 제거와 이송 모델링-(II) 현장조건의 변화에 따른 모델 결과)

  • Kim Jung-Woo;Kim Jeong-Kon;Lee Young-Joon;Choi Hee-Chul
    • Journal of Soil and Groundwater Environment
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    • v.10 no.4
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    • pp.13-17
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    • 2005
  • For the SAT modeling system considering the reaction module which consists of nitrification, denitrification and organic oxidation, an imaginary cross-sectional 2-dimensional model simulation was carried out to analyze the sensitivity of the model. Four parameters, such as hydraulic conductivity, source water loading rate, ground surface pavement and operation schedule, were considered for the sensitivity analysis. Most factors considered in model development step were well reflected in the simulation results.

Kinetics Study for Wet Air Oxidation of Sewage Sludge (하수슬러지의 습식산화반응에 대한 동력학적 연구)

  • Ahn, Jae-Hwan
    • Journal of Korean Society of Environmental Engineers
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    • v.27 no.7
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    • pp.746-752
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    • 2005
  • In this study, the effect of reaction parameters including reaction temperature, time, and pressure on sludge degradation and conversion to intermediates such as organic acids were investigated at low critical wet air oxidation(LC-WAO) conditions. Degradation pathways and a modified kinetic model in LC-WAO were proposed and the kinetics model predictions were compared with experimental data under various conditions. Results in the batch experiments showed that reaction temperature directly affected the thermal hydrolysis reaction rather than oxidation reaction. The efficiencies of sludge degradation and organic acid formation increased with the increase of the reaction temperature and time. The removal of SS at $180^{\circ}C$, $200^{\circ}C$, $220^{\circ}C$ and $240^{\circ}C$ of reaction temperatures and 10 min of reaction time were 52.6%, 68.3%, 72.6%, and 74.4%, respectively, indicating that most organic suspended solids were liquified at early stage of reaction. At $180^{\circ}C$, $200^{\circ}C$, $220^{\circ}C$ and $240^{\circ}C$ of reaction temperatures and 40 min of reaction time, the amounts of organic acids formed from 1 g of sludge were 93.5 mg/g SS, 116.4 mg/g SS, 113.6 mg/g SS, and 123.8 mg/g SS, respectively, and the amounts of acetic acid from 1 g of sludge were 24.5 mg/g SS, 65.5 mg/g SS, 88.1 mg/g SS, and 121.5 mg/g SS, respectively. This suggested that the formation of sludge to organic acids as well as the conversion of organic acids to acetic acid increased with reaction temperature. Based on the experimental results, a modified kinetic model was suggested for the liquefaction reaction of sludge and the formation of organic acids. The kinetic model predicted an increase in kinetic parameters $k_1$ (liquefaction of organic compounds), $k_2$ (formation of organic acids to intermediate), $k_3$ (final degradation of intermediate), and $k_4$ (final degradation of organic acids) with reaction temperature. This indicated that the liquefaction of organic solid materials and the formation of organic acids increase according to reaction temperature. The calculated activation energy for reaction kinetic constants were 20.7 kJ/mol, 12.3 kJ/mol, 28.4 kJ/mol, and 54.4 kJ/mol, respectively, leading to a conclusion that not thermal hydrolysis but oxidation reaction is the rate-limiting step.

A Performance Modeling of the Lean NOx Trap Catalyst with GT-POWERTM (GT-POWERTM를 이용한 Lean NOx Trap 촉매 성능 모델링)

  • Kim, Hyunjun;Han, Manbae;Jeon, Ji-Yong;Kim, Tae-Min
    • Transactions of the Korean Society of Automotive Engineers
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    • v.21 no.6
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    • pp.64-71
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    • 2013
  • In this study we designed a lean $NO_x$ trap (LNT) model with $GT-POWER^{TM}$ program and then the LNT model was compared to the bench flow reactor test results. This model consists of 9 kinetic reactions to represent the main steps of NO oxidation, $NO_x$ adsorption, $NO_x$ release and then its reduction. The comparison was performed on the operating conditions at the space velocity of 50,000 1/hr and 80,000 1/hr with the temperature range of $200^{\circ}C{\sim}500^{\circ}C$ with the even spaced temperature step of $50^{\circ}C$. The experimental results show that the $NO_x$ conversion efficiency was enhanced by the temperature up to $350^{\circ}C$ and then decayed at higher temperatures. The LNT model predicts the similar trend of the $NO_x$ conversion efficiency to the experimental results below $350^{\circ}C$, but overestimates above $350^{\circ}C$. This overestimation comes from the higher reduction efficiency which was obtained by the different reduction gas composition such as $C_3H_6$ in the model to replace $CH_4$, $C_2H_4$ in the bench test.

Sensitive and Selective Electrochemical Glucose Biosensor Based on a Carbon Nanotube Electronic Film (탄소나노튜브 전자 필름을 이용한 고감도-고선택성 전기화학 글루코스 센서)

  • Lee, Seung-Woo;Lee, Dongwook;Seo, Byeong-Gwuan
    • Applied Chemistry for Engineering
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    • v.33 no.2
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    • pp.188-194
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    • 2022
  • This work presents a non-destructive and straightforward approach to assemble a large-scale conductive electronic film made of a pre-treated single-walled carbon nanotube (SWCNT) solution. For effective electron transfer between the immobilized enzyme and SWCNT electronic film, we optimized the pre-treatment step of SWCNT with p-terphenyl-4,4"-dithiol and dithiothreitol. Glucose oxidase (GOx, a model enzyme in this study) was immobilized on the SWCNT electronic film following the positively charged polyelectrolyte layer deposition. The glucose detection was realized through effective electron transfer between the immobilized GOx and SWCNT electronic film at the negative potential value (-0.45 V vs. Ag/AgCl). The SWCNT electronic film-based glucose biosensor exhibited a sensitivity of 98 ㎂/mM·cm2. In addition, the SWCNT electronic film biosensor showed the excellent selectivity (less than 4 % change) against a variety of redox-active interfering substances, such as ascorbic acid, uric acid, dopamine, and acetaminophen, by avoiding co-oxidation of the interfering substances at the negative potential value.