• Title/Summary/Keyword: Detailed Reaction Mechanism

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A Study on the Applications of Finite Element Techniques to Chip Formation and Cutting Heat Generation Mechanism of Cutting Process (CHIP생성 및 절삭열 발생기구 해석을 위한 유한요소법 적용에 관한 연구)

  • Hwang, Joon;Namgung, Suk
    • Journal of the Korean Society for Precision Engineering
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    • v.12 no.9
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    • pp.148-155
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    • 1995
  • The object of this study is to achieve a gteater understanding of meterial removal process and its mechanism. In this study, some applications of finite element techniques are applied to analyze the chip formation and cutting heat generation mechanism of metal cutting. To know the effect of cutting parameters, simulations employed some independent cutting variables change, such as constitutive deformation laws of workpiece and tool material, frictional coefficients and tool-chip contact interfaces, cutting speed, tool rake angles, depth of cut and this simulations also include large elastic-plastic defor- mation, adiabetic thermal analysis. Under a usual plane strain assumption, quasi-static, thermal-mechanical coupling analysis generate detailed informations about chip formation process and cutting heat generation mechanism Some cutting parameters are affected to cutting force, plastic deformation of chip, shear plane angle, chip thickness and tool-chip contact length and reaction force on tool, cutting temperature and thermal behavior. Several aspects of the metal cutting process predicted by the finite element analysis provide information about tool shape design and optimal cutting conditions.

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Chemical Reaction of $H_2$/Air Mixture Inhibited by Heptafluoropropane(HFP) during Autoignition Process (HFP가 첨가된 수소/공기 혼합기의 자연점화에서의 화학반응)

  • Lee, Eui-Ju;Oh, Chang-Bo
    • Proceedings of the Korea Institute of Fire Science and Engineering Conference
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    • 2008.04a
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    • pp.100-103
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    • 2008
  • Autoignition suppression of hydrogen/air premixed mixtures by $CF_3CHFCF_3$(HFP) was investigated computationally. Numerical simulation was performed in isobaric and homogeneous system to evaluate the induction times. The detailed chemistry of 93 species and 817 reaction mechanism was introduced for hydrogen/air/HFP mixtures. The results shows the similar concentrations for the major reactants such as hydrogen and oxygen during autoignition while water vapor produced at the ignition temperature was decomposed later, which leaded to the shoulder on the concentration of H, OH and O radical with time. The fluorine included from HFP was converted mainly to stable HF and the carbon was formed to various species, CF2, CF2O, CO etc. More details of chemical effects of HFP addition will be investigate with sensitivity analysis in the near future.

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Numerical Analysis for the Soot Formation Processes in Acetylene-Air Nonpremixed Turbulent Jet Flame (아세틸렌/공기 비예혼합 난류 제트화염의 Soot 생성에 대한 수치해석)

  • 김후중;김용모;윤명원
    • Transactions of the Korean Society of Automotive Engineers
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    • v.10 no.6
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    • pp.80-89
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    • 2002
  • The flame structure and soot formation in Acetylene-Air nonpremixed jet flame are numerically analyzed. We employed two variable approach to investigate the soot formation and oxidation processes. The present soot reaction mechanism involves nucleation, surface growth, particle coagulation, and oxidation steps. The gas phase chemistry and the soot nucleation, surface growth reactions are coupled by assuming that the nucleation and soot mass growth has the certain relationship with the concentration of pyrene and acetylene. We also employed laminar flamelet model to calculate the thermo-chemical properties and the proper soot source terms from the information of detailed chemical kinetic model. The numerical and physical model used in this study successfully predict the essential features of the combustion processes and soot formation characteristics in the reaction flow field.

A Numerical Study of Combustion Characteristics for HCCI Engine with Detailed Diesel Surrogate Chemical Mechanism (Diesel Surrogate 상세 반응 기구를 이용한 HCCI 엔진의 연소 특성에 관한 수치해석 연구)

  • Lee, Won-Jun;Lee, Seung-Ro;Lee, Chang-Eon
    • Journal of the Korean Society of Combustion
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    • v.16 no.2
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    • pp.9-15
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    • 2011
  • Homogeneous charge compression ignition(HCCI) is the best concept able to provide low NOx and PM in diesel engine emissions. This new alternative combustion process is mainly controlled by chemical kinetics in comparison with the conventional combustion in internal combustion engine. In this paper, combustion characteristics of HCCI engine with suggested diesel surrogate(heptane/toluene mixture fuel) reaction mechanism were numerically investigated by heptane/toluene mixture ratio and EGR ratio. As results, the ignition timing became faster with increasing of heptane, and an initial oxidation and the ignition timing of the mixture fuel were affected by heptane and toluene, respectively.

Conformational change of organic cofactor PLP is essential for catalysis in PLP-dependent enzymes

  • Ngo, Ho-Phuong-Thuy;Nguyen, Diem Quynh;Park, Hyunjae;Park, Yoon Sik;Kwak, Kiwoong;Kim, Taejoon;Lee, Jang Ho;Cho, Kyoung Sang;Kang, Lin-Woo
    • BMB Reports
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    • v.55 no.9
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    • pp.439-446
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    • 2022
  • Pyridoxal 5'-phosphate (PLP)-dependent enzymes are ubiquitous, catalyzing various biochemical reactions of approximately 4% of all classified enzymatic activities. They transform amines and amino acids into important metabolites or signaling molecules and are important drug targets in many diseases. In the crystal structures of PLP-dependent enzymes, organic cofactor PLP showed diverse conformations depending on the catalytic step. The conformational change of PLP is essential in the catalytic mechanism. In the study, we review the sophisticated catalytic mechanism of PLP, especially in transaldimination reactions. Most drugs targeting PLP-dependent enzymes make a covalent bond to PLP with the transaldimination reaction. A detailed understanding of organic cofactor PLP will help develop a new drug against PLP-dependent enzymes.

A Cycle Simulation Method for an HCCI Engine using Detailed Chemical Kinetics (상세화학반응식을 이용한 HCCI 엔진의 성능 해석기법 연구)

  • 송봉하;김동광;조남효
    • Transactions of the Korean Society of Automotive Engineers
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    • v.11 no.6
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    • pp.51-58
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    • 2003
  • A cycle simulation method is developed by coupling a commercial code, Ricardo's WAVE, with the SENKIN code from CHEMKIN packages to predict combustion characteristics of an HCCI engine. By solving detailed chemical kinetics the SENKIN code calculates the combustion products in the combustion chamber during the valve closing period, i.e. from IVC to EVO. Except the combustion chamber during the valve closing period the WAVE code solves thermodynamic status in the whole engine system. The cycle simulation of the complete engine system is made possible by exchanging the numerical solutions between the codes on the coupling positions of the intake port at IVC and of the exhaust port at EVO. This method is validated against the available experimental data from recent literatures. Auto ignition timing and cylinder pressure are well predicted for various engine operating conditions including a very high ECR rate although it shows a trend of sharp increase in cylinder pressure immediate after auto ignition. This trend is overpredicted especially for EGR cases, which may be due to the assumption of single-zone combustion model and the limit of the chemical kinetic model for the prediction of turbulent air-fuel mixing phenomena. A further work would be needed for the implementation of a multi-zone combustion model and the effect of turbulent mixing into the method.

Detailed Analysis of NO Formation Routes with Strain Rate in H2/Air Nonpremixed Flames (H2/Air 비예혼합화염의 화염신장율에 따른 NO 생성경로의 상세해석)

  • Kim, Jong-Hyun;Hwang, Cheol-Hong;Lee, Chang-Eon
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.32 no.8
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    • pp.604-611
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    • 2008
  • Detailed analysis of NO formation routes and its contributions with strain rate in hydrogen/air flames were numerically investigated. LiG detailed reaction mechanism has been used for calculation, which is compared with experimental data in literature. It shows good agreement with experiment for both temperature and NO mole fraction. Three routes have been found important for NO formation in hydrogen flames. These are the Thermal route, NNH route and $N_2O$ route. Strain rate were varied to discuss the $EI_{NO}$ reduction trend in hydrogen nonpremixed flames, which are analyzed by each NO formation routes. As a result, as the strain rate increase, $EI_{NO}$ decrease sharply until strain rate $100s^{-1}$ and decrease slowly until strain rate $310s^{-1}$ again, after that $EI_{NO}$ keeps nearly constant. It can be identified that $EI_{NO}$ trend with the strain rate is well explained by a combination of variation of production rate of above Thermal, NNH and $N_2O$ route. Also result of Thermal-Mech. that includes only thermal NO reaction is compared with those of Full-Mech. As a result, It can be identified that there was difference between the two results of calculation. It is attributed to result that Thermal-mech did not consider contributions of NNH and $N_2O$ route. From these result, we can conclude that NOx emission characteristics of hydrogen nonpremixed flames should consider contributions of above three routes simultaneously.

Characteristics of Chemical Reaction and Ignition Delay of $H_2$/Air/HFP Mixtures (수소/공기/HFP 혼합기의 화학반응 및 점화지연 특성)

  • Lee, Eui-Ju;Oh, Chang-Bo
    • Journal of the Korean Society of Safety
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    • v.25 no.1
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    • pp.17-21
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    • 2010
  • The chemistry and ignition delay of hydrogen/air/HFP premixed mixtures was investigated numerically with unsteady perfectly stirred reactor(PSR). The detailed chemistry of 93 species and 817 reaction mechanism was introduced for hydrogen/air/HFP mixtures. The results shows the temporal concentration variations of major or reactants such as hydrogen and oxygen during autoignition were similar to the spatial distribution of premixed flame while water vapor produced at the ignition temperature was decomposed later, which can be clarified with the relate species production rates that the the re-growth (or shoulder) of OH concentration is a result of F radicals attacking $H_20$ forming OH and HF. For the stoichiometric $H_2$/air mixture inhibited by 20% HFP, HFP thermal decomposition reaction prevails over the radical attack such as H at initial stage. Even though relatively large HFP addition contributes to delay the ignition, chemical effect on the ignition delay is not effective because of late thermal decomposition of HFP. The most small ignition delay was observed at a slightly fuel lean condition ($\phi$ = 0.9), and temperature dependency of ignition delay was clearly shown near 900 K.

Numerical Study of Combustion Characteristics for Hydrogen Content in Syngas in Opposed-Flow Flame (대향류 화염에서의 합성가스 내 수소 함량에 따른 연소 특성 변화에 관한 수치해석 연구)

  • KIM, DONGHEE;PARK, JINJE;HUH, KANG Y.;LEE, YOUNGJAE
    • Transactions of the Korean hydrogen and new energy society
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    • v.31 no.5
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    • pp.467-479
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    • 2020
  • Various researches are being conducted to reduce greenhouse gases generated by the consumption of traditional energy resources. This study was conducted to numerically analyze the combustion characteristics and N-S reaction behavior with respect to the H2 content of syngas composed of CO and H2 in pressurized air combustion. A non-premixed opposed flow flame model was applied a modified detailed mechanism with S-chemistry was developed based on GRI 3.0 to simulate the syngas reaction. As the hydrogen content increased, the flame thickness increased due to the fast reactivity of hydrogen. In the rich region, NO and SO2 were reduced by reaction with H radical and H bonding of NO was suppressed by the formation of HOSO.

Fundamental Study on the Chemical Ignition Delay Time of Diesel Surrogate Components (모사 디젤 화학반응 메커니즘의 각 성분이 화학적 점화 지연 시간에 미치는 영향에 관한 기초 연구)

  • Kim, Gyujin;Lee, Sangyul;Min, Kyoungdoug
    • Transactions of the Korean Society of Automotive Engineers
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    • v.21 no.3
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    • pp.74-81
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    • 2013
  • Due to its accuracy and efficiency, reduced kinetic mechanism of diesel surrogate is widely used as fuel model when applying 3-D diesel engine simulation. But for the well-developed prediction of diesel surrogate reduced kinetic mechanism, it is important to know some meaningful factors which affect to ignition delay time. Meanwhile, ignition delay time consists of two parts. One is the chemical ignition delay time related with the chemical reaction, and the other is the physical ignition delay time which is affected by physical behavior of the fuel droplet. Especially for chemical ignition delay time, chemical properties of each fuel were studied for a long time, but researches on their mixtures have not been done widely. So it is necessary to understand the chemical characteristics of their mixtures for more precise and detailed modeling of surrogate diesel oil. And it shows same ignition trend of paraffin mixture with those of single component, and shorter ignition delay at low/high initial temperature when mixing paraffin and toluene.