• Title/Summary/Keyword: Kinetics Parameter

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Induction Parameter Modeling of Hydrocarbon Fuel/Oxidizer for Detonation Wave Analysis (데토네이션 파 해석을 위한 탄화수소 연료/산화제의 Induction Parameter Modeling)

  • Choi, Jeong-Yeol;Yang, Vigor
    • 한국연소학회:학술대회논문집
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    • 2003.05a
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    • pp.57-62
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    • 2003
  • A general procedure of obtaining reliable one-step kinetics model for hydrocarbon mixture from the fully detailed chemistry is described iin this study. One-step theoretical formulation of the induction parameter model IPM uses a theoretical reconstruction of the induction time database obtained from a detailed kinetics library. Non-dimensional induction time calculations is compared with that of detailed kinetics. The IPM was latter implemented to fluid dynamics code and applied for the numerical simulation of detonation wave propagation. The numerical results including the numerical smoked-foil record show the all the details of the detonation wave propagation characteristics at the cost around 1/100 of the detailed kinetics calculation.

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Detonation Wave Simulation of Thermally Cracked JP-7 Fuel/Oxygen Mixture using Induction Parameter Modeling (Induction Parameter Modeling을 이용한 열 분해된 JP-7 연료 /산소 혼합기의 데토네이션 파 해석)

  • Cho, Deok-Rae;Shin, Jae-Ryul;Choi, Jeong-Yeol;Yang, Vigor
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.37 no.4
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    • pp.383-391
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    • 2009
  • The detonation wave characteristics of JP-7 and oxygen mixture is investigated by one-step induction parameter model (IPM) obtained from a detailed chemistry mechanism. A general procedure of obtaining reliable one-step kinetics IPM for hydrocarbon mixture from the fully detailed chemistry is described in this study. The IPM is obtained by the reconstruction of the induction time database obtained from a detailed kinetics library. The IPM was confirmed by the comparison of the induction time calculations with that from detailed kinetics. The IPM is later implemented to a fluid dynamics code and applied for the numerical simulation of detonation wave propagation. The numerical results show the detailed characteristics of the detonation wave propagation in JP-7 and oxygen mixture at affordable computing time, which is not be possible by the direct application of the detailed chemical kinetics mechanism of hydrocarbon fuel combustion.

Kinetics on the Thermal Decomposition of Cellulose (셀룰로오스의 열분해 반응속도론)

  • 최승찬;박영수
    • Journal of the Korean Society of Tobacco Science
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    • v.5 no.2
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    • pp.55-62
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    • 1983
  • Four of non- isothermal methods evaluating kinetics have been studied by using differential scanning calorimetry (DSC) and thermogravimetry (TG) and applied for kinetics of the thermal decomposition of cellulose. It is concluded that the heating evolution methods with DSC and approximative methods with TC can lead to satisfactory kinetic analysis. Results calculating the reacting order and the activation energy of cellulose decomposition were 1/2 order and 42kcaB/mol, respectively.

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Application of Crystallization Kinetics on Differential Thermal Analysis (열시차 분석에 대한 결정화 Kinetics의 응용)

  • 이선우;심광보;오근호
    • Journal of the Korean Ceramic Society
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    • v.35 no.11
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    • pp.1162-1170
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    • 1998
  • Applicability of crystallization kinetics on thermal analysis was investigated for PbO-TiO2-B2O3-BaO glass systems together with theoretical background of kinetics and electron microscopic observations on nu-cleation and crystallization. Kissinger equation can be used on DTA under the assumption that the nucleus density is fixed during DTA runs. Crystallization mechanism affected on the activation energy Ek obtained from powder samples which is used for domination of surface crystallization. Avrami parameter n that was obtained from Ozawa equation represented closely the crystallization mechanisms observed by an electron microscope. The modified Kissinger equation takes into account crystallization mechanism thereby pro-ducing the true activation energy of crystallization.

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Effect of pH on the sorption kinetics of chlorophenols onto HDTMA-montmorillonite (염화페놀류 화합물의 HDTMA-montmorillonite에 대한 수착 동력학에 미치는 ph의 영향)

  • Mun Yong, Gwak;Dong Ik, Song
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 2004.04a
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    • pp.186-191
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    • 2004
  • Sorption kinetics of 2-chlorophenol(2-ChP), 2,4-dichlorophenol(2,4-DChP) and 2,4,5-trichlorophenol (2,4,5-TChP), onto montmorillonite modified with hexadecyltrimethyl ammonium cations(HDTMA-mont) were investigated. One-site mass transfer model(OSMTM) and two compartment first-order kinetic model(TCFOKM) were used to analyze kinetics. As expected from the number of model parameters involved, the three-parameter TCFOKM was better than the two-parameter OSMTM in describing sorption and desorption kinetics of chlorophenols in HDTMA-mont. For all chlorophenols, the results of OSMTM analysis indicate that the predominant deprotonated speciation(at pH 9.15) exhibited higher mass transfer coefficient( $k_{s}$ ) than the protonated speciation(at pH 4.85). This is because the deprotonated speciation has stronger hydrophobic interaction than protonated speciation. Most sorption completes in three hours. The fraction of the fast sorption and the first-order sorption rate constants for the fast and slow compartments in TCFOKM were determined by fitting experimental data to the TCFOKM. The results of kinetics reveal that the fraction of the fast sorption( $f_1$) and the sorption rate constants in the fast compartments( $k_1$) were in the order 2,4,5-TChP > 2,4-DChP > 2-ChP, which agrees with the magnitude of the $K_{ow}$ . The first-order sorption rate constants in the fast compartment(10$^{0.8}$ - 10$^{1.22}$ h $r^{-1}$ ) were much larger than those in the slow compartment(10$^{-1}$.74/ - 10$^{-2}$.622/ h $r^{-1}$ ).> ).).

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Nonclassical Chemical Kinetics for Description of Chemical Fluctuation in a Dynamically Heterogeneous Biological System

  • Lim, Yu-Rim;Park, Seong-Jun;Lee, Sang-Youb;Sung, Jae-Young
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.963-970
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    • 2012
  • We review novel chemical kinetics proposed for quantitative description of fluctuations in reaction times and in the number of product molecules in a heterogeneous biological system, and discuss quantitative interpretation of randomness parameter data in enzymatic turnover times of ${\beta}$-galactosidase. We discuss generalization of renewal theory for description of chemical fluctuation in product level in a multistep biopolymer reaction occurring in a dynamically heterogeneous environment. New stochastic simulation results are presented for the chemical fluctuation of a dynamically heterogeneous reaction system, which clearly show the effects of the initial state distribution on the chemical fluctuation. Our stochastic simulation results are found to be in good agreement with predictions of the analytic results obtained from the generalized master equation.

Desorption Characteristics of Grinding Oil from Swarf by using Supercritical Carbon Dioxide (초임계 이산화탄소를 이용한 스와프로부터 연마유 탈착 특성)

  • Yang, Jun Youl;Lee, Youn-Woo;Lim, Jong Sung
    • Clean Technology
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    • v.10 no.3
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    • pp.139-148
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    • 2004
  • The recovery of stainless steel fiber by removing cutting oil from grinding swarf, which is classified as specified wastes, was investigated. Swarf loaded with grinding oil was regenerated by supercritical carbon dioxide. And, the effects of temperature(313.15K-323.15K), pressure(10MPa-30MPa) on regeneration efficiency were studied. Regeneration effiency was increased as the pressure was increased. Also, at the same pressure, the experiments at higher temperature were more efficient for regeneration. The experiment results was predicted by applying a one-parameter mathematical model assuming linear desorption kinetics. The predicted value showed good agreement with experimental data.

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Equivalent Circuit Model of Glucose Kinetics (생체내 포도당 동태의 등가회로모델)

  • Yun, Jang-H.;Kim, Min-Chong
    • Journal of Biomedical Engineering Research
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    • v.2 no.1
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    • pp.31-38
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    • 1981
  • The objective of the present study was to develop an equivalent circuit model of glucose kinetics including the hepatic glucose balance functions which were neglected in the previous compartmental models. Using this circuit model, the insulin resistivity parameter and hepatic glucose sensitivity parameter were estimated in optimal fitting of the model based data of glucose and insulin concentration to the reported clinical intravenous glucose tolerance test(IVGTT) data in normal and diabetic subjects. The addition of the hepatic function in the model has improved the overall performance of the simulation. Also, the computed tissue insulin resistivity and the hepatic glucose sensitivity are shown to be significant in distinguishin four clinical groups of normal and diabetic groups.

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Approximate Method in Estimating Sensitivity Responses to Variations in Delayed Neutron Energy Spectra

  • J. Yoo;H. S. Shin;T. Y. Song;Park, W. S.
    • Proceedings of the Korean Nuclear Society Conference
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    • 1997.10a
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    • pp.85-90
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    • 1997
  • Previous our numerical results in computing point kinetics equations show a possibility in developing approximations to estimate sensitivity responses of nuclear reactor We recalculate sensitivity responses by maintaining the corrections with first order of sensitivity parameter. We present a method for computing sensitivity responses of nuclear reactor based on an approximation derived from point kinetics equations. Exploiting this approximation, we found that the first order approximation works to estimate variations in the time to reach peak power because of their linear dependence on a sensitivity parameter, and that there are errors in estimating the peak power in the first order approximation for larger sensitivity parameters. To confirm legitimacy of our approximation, these approximate results are compared with exact results obtained from our previous numerical study.

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Prediction of Continuous Reactors Performance Based on Batch Reactor Deactivation Kinetics Data of Immobilized Lipase

  • Murty, V.Ramachandra;Bhat, Jayadev;Muniswaran, P.K.A.
    • Biotechnology and Bioprocess Engineering:BBE
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    • v.7 no.4
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    • pp.225-230
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    • 2002
  • Experiments on deactivation kinetics of immobilized lipase enzyme from Candida cyl-indracea were performed in stirred bath reactor using rice bran oil as the substrate and temperature as the deactivation parameter. The data were fitted In first order deactivation model. The effect of temperature on deactivation rate was represented by Arrhenius equation. Theoretical equations were developed based on pseudo-steady state approximation and Michaelis -Menten rate expression to predict the time course of conversion due to enzyme deactivation and apparent half-life of the immobilized enzyme activity in PFR and CSTH under constant feed rate polity for no diffusion limitation and diffusion limitation of first order. Stability of enzyme in these continuous reactors was predicted and factors affecting the stability were analyzed.