• 제목/요약/키워드: Detailed Kinetics

검색결과 82건 처리시간 0.026초

An Investigation of the Effect of Changes in Engine Operating Conditions on Ignition in an HCCI Engine

  • Lee, Kyung-Hwan;Gopalakrishnan, Venkatesh;Abraham, John
    • Journal of Mechanical Science and Technology
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    • 제18권10호
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    • pp.1809-1818
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    • 2004
  • The dependence of the ignition timing in an HCCI engine on intake temperature and pressure, equivalence ratio, and fuel species is investigated with a zero-dimensional model combined with a detailed chemical kinetics. The accuracy of the model is evaluated by comparing measured and computed results in a propane-fueled HCCI engine. It is shown that the peak pressure values are reproduced within 10% and ignition timing within 5$^{\circ}$ CA. The heat loss through the walls is found to affect significantly on the ignition timing for different inlet conditions. It is also shown that for the propane-fueled engine, the tolerance in intake temperatures is 20-25K and the tolerance in intake pressure is about 1 bar for stable operation without misfire or too early ignition. Comparison of propane and heptane fuels indicates that the tendency to misfire when heptane is employed as the fuel is less than that when propane is employed with the same wall temperature conditions. However, the heptane-fueled engine may have a lower compression ratio to avoid too early ignition and hence lower efficiency. For the selected set of engine parameters, stable operations might be achieved for the heptane-fueled engine with twice as much tolerance in intake temperatures as for the propane-fueled engine.

초소형 연소기내 화염전파의 수치모사 (Numerical Simulation of Flame Propagation in a Micro Combustor)

  • 최권형;이대훈;권세진
    • 대한기계학회논문집B
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    • 제27권6호
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    • pp.685-692
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    • 2003
  • A numerical simulation of flame propagation in a micro combustor was carried out. Combustor has a sub -millimeter depth cylindrical internal volume and axisymmetric one-dimensional was used to simplify the geometry. Semi-empirical heat transfer model was used to account for the heat loss to the walls during the flame propagation. A detailed chemical kinetics model of $H_2/Air$ with 10 species and 16 reaction steps was used to calculate the combustion. An operator-splitting PISO scheme that is non-iterative, time-dependent, and implicit was used to solve the system of transport equations. The computation was validated for adiabatic flame propagation and showed good agreement with existing results of adiabatic flame propagation. A full simulation including the heat loss model was carried out and results were compared with measurements made at corresponding test conditions. The heat loss that adds its significance at smaller value of combust or height obviously affected the flame propagation speed as final temperature of the burnt gas inside the combustor. Also, the distribution of gas properties such as temperature and species concentration showed wide variation inside the combustor, which affected the evaluation of total work available of the gases.

정상 성인의 운동역학적 보행분석 (A Study on Kinetic Gait Analysis of the Normal Adult)

  • 김건;윤나미
    • The Journal of Korean Physical Therapy
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    • 제21권2호
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    • pp.87-95
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    • 2009
  • Purpose: This study reports the basic reference data of the specific gait parameters for Korean normal adults. Methods: The basic gait parameters were extracted from 73 Adults (35 men and 38 women), 18 to 33 years of age, using a Vicon MX motion analysis system. The segment kinetics, such as joint moment and power, was analyzed at the hip, knee and ankle. Results: The motion patterns are typically associated with a specific phase of the gait cycle. The temporal-spatial gait parameters of Korean normal adults, such as cadence, walking speed, stride length, single support and double support, were similar to the other western reference data. The kinetic parameters of Korean normal adults, such as joint moments of force, joint mechanical power generation or absorption and ground reaction forces, were also similar to other western reference datasets. Conclusion: This study demonstrates that objective gait analysis can be used to document the gait patterns of normal healthy adults. The techniques of 3-dimensional temporal-spatial gait parameters and kinematic parameters analysis can provide a detailed biomechanical description of a normal and pathological gait.

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Purification and Characterization of Pyrimidine Nucleotide N-Ribosidase from Pseudomonas oleovorans

  • YU, Tae-Shick
    • Journal of Microbiology and Biotechnology
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    • 제15권3호
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    • pp.573-578
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    • 2005
  • Pyrimidine nucleotide N-ribosidase (pyrimidine 5'-nucleotide phosphoribo(deoxyribo)hydrolase/pyrimidine 5'-nucleotide nucleosidase, EC 3.2.2.10) catalyzes the breakdown of pyrimidine 5'-nucleotide into pyrimidine base and ribose(deoxyribo)-5-phosphate. However, detailed characteristics of the enzyme have not yet been reported. The enzyme was purified to homogeneity 327.9-fold with an overall yield of $6.1\%$ from Pseudomonas oleovorans ATCC 8062. The enzyme catalyzed cytidine monophosphate (CMP) and uridine monophosphate (UMP), but not adenosine monophosphate (AMP) and guanosine monophosphate (GMP). The enzyme optimally metabolized CMP at pH 6.0 and UMP at around 8.5, and the optimum temperature for the overall enzyme reaction was found to be $37^{\circ}C$. The $K_m$ values of the enzyme for CMP (at pH 6.0) and UMP (at pH 8.5) were 1.6 mM and 1.1 mM, respectively. AMP, deoxyCMP, and deoxyUMP were very effective inhibitors of the reaction. Double-reciprocal plots obtained in the absence and in the presence of AMP revealed that this inhibitory effect was of the mixed competitive type with respect to the breakdown of CMP and of the noncompetitive type with respect to the breakdown of UMP. In the presence of AMP, the enzyme followed sigmoid kinetics with respect to each substrate.

일방향응고시킨 Pivalic Acid-Ethanol 계에서의 Dendrite의 성장 (Growth of Dendrites in the Unidirectionally Solidified Pivalic Acid-Ethanol System)

  • 석명진;박영민
    • 한국주조공학회지
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    • 제31권4호
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    • pp.191-197
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    • 2011
  • Transparent organic materials have been frequently used as an analog of the solidifying metallic materials, because their transparency permits an in-situ observation of the microstructural development during solidification through optical microscopy. Pivalic acid (PVA)-ethanol system showing an anisotropic property in solid-liquid interfacial energy and interface kinetics was adopted in the present experiment, and the detailed experiments performed are as follows: (1) variation of dendrite tip temperature with growth velocity, (2) correlation between primary dendrite arm spacing (${\lambda}_1$) and the growth orientation away from the heat flow direction (tilt angle: ${\theta}$), (3) variation of dendrite tip radius (R) with growth velocity (V), (4) dendrite tip stability parameter (${\sigma}^*$) and its dependence on the concentration. Concerning the correlation between the dendrite tip temperature and growth velocity the present result is well suited to Hunt-Lu equation. As the tilt angle increases, the average primary dendrite spacing tends to increase.

Protein Structural Characterization by Hydrogen/Deuterium Exchange Mass Spectrometry with Top-down Electron Capture Dissociation

  • Yu, Hai Dong;Ahn, Seonghee;Kim, Byungjoo
    • Bulletin of the Korean Chemical Society
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    • 제34권5호
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    • pp.1401-1406
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    • 2013
  • This study tested the feasibility of observing H/D exchange of intact protein by top-down electron capture dissociation (ECD) mass spectrometry for the investigation of protein structure. Ubiquitin is selected as a model system. Local structural information was obtained from the deuteration levels of c and $z^{\cdot}$ ions generated from ECD. Our results showed that ${\alpha}$-helix region has the lowest deuteration level and the C-terminal fraction containing a highly mobile tail has the highest deuteration level, which correlates well with previous X-Ray and HDX/NMR analyses. We studied site-specific H/D exchange kinetics by monitoring H/D exchange rate of several structural motives of ubiquitin. Two hydrogen bonded ${\beta}$-strands showed similar HDX rates. However, the outer ${\beta}$-strand always has higher deuteration level than the inner ${\beta}$-strand. The HDX rate of the turn structure (residues 8-11) is lower than that of ${\beta}$-strands (residues 1-7 and residues 12-17) it connects. Although isotopic distribution gets broader after H/D exchange which results in a limited number of backbone cleavage sites detected, our results demonstrate that this method can provide valuable detailed structural information of proteins. This approach should also be suitable for the structural investigation of other unknown proteins, protein conformational changes, as well as protein-protein interactions and dynamics.

Electronic structure and catalytic reactivity of model oxide catalysts

  • 김유권
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2009년도 제38회 동계학술대회 초록집
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    • pp.35-35
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    • 2010
  • Understanding the mechanistic details of heterogeneous catalytic reactions will provide a way to tune the selectivity between various competing reaction channels. In this regard, catalytic decomposition of alcohols over the rutile $TiO_2$(110) surface as a model oxide catalyst has been studied to understand the reaction mechanism employing the temperature-programmed desorption (TPD) technique. The $TiO_2$(110) model catalyst is found to be active toward alcohol dehydration. We find that the active sites are bridge-bonded oxygen vacancies where RO-H heterolytically dissociates and binds to the vacancy to produce alkoxy (RO-) and hydroxyl (HO-). Two protons adsorbed onto the bridge-bonded oxygen atoms (-OH) readily react with each other to form a water molecule at ~500 K and desorb from the surface. The alkoxy (RO-) undergoes decomposition at higher temperatures into the corresponding alkene. Here, the overall desorption kinetics is limited by a first-order decomposition of intermediate alkoxy (RO-) species bound to the vacancy. We show that detailed analysis on the yield and the desorption temperatures as a function of the alkyl substituents provides valuable insights into the reaction mechanism. After the catalytic role of the oxygen vacancies has been established, we employed x-ray photoelectron spectroscopy to further study the surface electronic structure related to the catalytically active defective sites. The defect-related state in valence band has been related to the chemically reduced $Ti^{3+}$ defects near the surface region and are found to be closely related to the catalytic activity of the $TiO_2$(110) surface.

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A Lattice Model Study of Native Contact Restraints in Protein Folding

  • 오원석;신재민
    • Bulletin of the Korean Chemical Society
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    • 제17권9호
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    • pp.808-813
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    • 1996
  • To explore protein folding mechanism, we simulated a folding pathway in a simplified 3×3×3 cubic lattice. In the lattice folding Monte Carlo simulations, each of the 28 possible native packing pairs that exist in the native conformation was used as a conformational restraint. The native packing restraints in the lattice model could be considered as a disulfide linkage restraint in a real protein. The results suggest that proteins denatured with a small disulfide loop can, but not always, fold faster than proteins without any disulfide linkage and than proteins with a larger disulfide loop. The results also suggest that there is a rough correlation between loop size of the native packing restraint and folding time. That is, the order of native residue-residue packing interaction in protein folding is likely dependent on the residue-residue distance in primary sequence. The strength of monomer-monomer pairwise interaction is not important in the determination of the packing order in lattice folding. From the folding simulations of five strong folding lattice sequences, it was also found that the context encoded in the primary sequence, which we do not yet clearly understand, plays more crucial role in the determination of detailed folding kinetics. Our restrained lattice model approach would provide a useful strategy to the future protein folding experiments by suggesting a protein engineering for the fast or slow folding research.

Development of TREND dynamics code for molten salt reactors

  • Yu, Wen;Ruan, Jian;He, Long;Kendrick, James;Zou, Yang;Xu, Hongjie
    • Nuclear Engineering and Technology
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    • 제53권2호
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    • pp.455-465
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    • 2021
  • The Molten Salt Reactor (MSR), one of the six advanced reactor types of the 4th generation nuclear energy systems, has many impressive features including economic advantages, inherent safety and nuclear non-proliferation. This paper introduces a system analysis code named TREND, which is developed and used for the steady and transient simulation of MSRs. The TREND code calculates the distributions of pressure, velocity and temperature of single-phase flows by solving the conservation equations of mass, momentum and energy, along with a fluid state equation. Heat structures coupled with the fluid dynamics model is sufficient to meet the demands of modeling MSR system-level thermal-hydraulics. The core power is based on the point reactor neutron kinetics model calculated by the typical Runge-Kutta method. An incremental PID controller is inserted to adjust the operation behaviors. The verification and validation of the TREND code have been carried out in two aspects: detailed code-to-code comparison with established thermal-hydraulic system codes such as RELAP5, and validation with the experimental data from MSRE and the CIET facility (the University of California, Berkeley's Compact Integral Effects Test facility).The results indicate that TREND can be used in analyzing the transient behaviors of MSRs and will be improved by validating with more experimental results with the support of SINAP.

몬테칼로 시뮬레이션을 이용한 소아 핵의학검사 시 인체내부 장기선량 평가 (Evaluation Internal Radiation Dose of Pediatric Patients during Medicine Tests Using Monte Carlo Simulation)

  • 이동연;강영록
    • 대한방사선기술학회지:방사선기술과학
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    • 제44권2호
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    • pp.109-115
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    • 2021
  • In this study, a physical evaluation of internal radiation exposure in children was conducted using nuclear medicine test(Renal DTPA Dynamic Study) to simulate the distribution and effects of the radiation throughout the tracer kinetics over time. Monte Carlo simulations were performed to determine the internal medical radiation exposure during the tests and to provide basic data for medical radiation exposure management. Specifically, dose variability based on changes in the tracer kinetic was simulated over time. The internal exposure to the target organ (kidney) and other surrounding organs was then quantitatively evaluated and presented. When kidney function was normal, the dose to the target organ(kidney) was approximately 0.433 mGy/mCi, and the dose to the surrounding organs was approximately 0.138-0.266 mGy/mCi. When kidney function was abnormal, the dose to the surrounding organs was 0.228-0.419 mGy/mCi. This study achieved detailed radiation dose measurements in highly sensitive pediatric patients and enabled the prediction of radiation doses according to kidney function values. The proposed method can provide useful insights for medical radiation exposure management, which is particularly important and necessary for pediatric patients.