• Title/Summary/Keyword: Reaction scheme

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INVESTIGATION OF SOOT OXIDATION CHARACTERISTICS IN A SIMULATED DIESEL PARTICULATE FILTER

  • Lee, H.S.;Chun, K.M.
    • International Journal of Automotive Technology
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    • v.7 no.3
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    • pp.261-267
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    • 2006
  • Understanding the mechanism of carbon oxidation is important for the successful modeling of diesel particulate filter regeneration. Carbon oxidation characteristics were investigated by temperature programmed oxidation(TPO) method as well as constant temperature oxidation(CTO) with a flow reactor including porous bed. The activation energy of carbon oxidation was increasing with temperature and had two different constant values in the early and the later stage of the oxidation process respectively in TPO experiment. Kinetic constants were derived and the reaction mechanisms were assumed from the experimental results and a simple reaction scheme was proposed, which approximately predicted the overall oxidation process in TPO as well as CTO.

COMPUTATIONAL METHOD FOR SINGULARLY PERTURBED PARABOLIC REACTION-DIFFUSION EQUATIONS WITH ROBIN BOUNDARY CONDITIONS

  • GELU, FASIKA WONDIMU;DURESSA, GEMECHIS FILE
    • Journal of applied mathematics & informatics
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    • v.40 no.1_2
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    • pp.25-45
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    • 2022
  • In this study, the non-standard finite difference method for the numerical solution of singularly perturbed parabolic reaction-diffusion subject to Robin boundary conditions has presented. To discretize temporal and spatial variables, we use the implicit Euler and non-standard finite difference method on a uniform mesh, respectively. We proved that the proposed scheme shows uniform convergence in time with first-order and in space with second-order irrespective of the perturbation parameter. We compute three numerical examples to confirm the theoretical findings.

NUMERICAL METHOD FOR SINGULARLY PERTURBED THIRD ORDER ORDINARY DIFFERENTIAL EQUATIONS OF REACTION-DIFFUSION TYPE

  • ROJA, J. CHRISTY;TAMILSELVAN, A.
    • Journal of applied mathematics & informatics
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    • v.35 no.3_4
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    • pp.277-302
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    • 2017
  • In this paper, we have proposed a numerical method for Singularly Perturbed Boundary Value Problems (SPBVPs) of reaction-diffusion type of third order Ordinary Differential Equations (ODEs). The SPBVP is reduced into a weakly coupled system of one first order and one second order ODEs, one without the parameter and the other with the parameter ${\varepsilon}$ multiplying the highest derivative subject to suitable initial and boundary conditions, respectively. The numerical method combines boundary value technique, asymptotic expansion approximation, shooting method and finite difference scheme. The weakly coupled system is decoupled by replacing one of the unknowns by its zero-order asymptotic expansion. Finally the present numerical method is applied to the decoupled system. In order to get a numerical solution for the derivative of the solution, the domain is divided into three regions namely two inner regions and one outer region. The Shooting method is applied to two inner regions whereas for the outer region, standard finite difference (FD) scheme is applied. Necessary error estimates are derived for the method. Computational efficiency and accuracy are verified through numerical examples. The method is easy to implement and suitable for parallel computing. The main advantage of this method is that due to decoupling the system, the computation time is very much reduced.

Numerical Requirements for the Simulation of Detonation Cell Structures (데토네이션 셀 구조 모사를 위한 수치적 요구 조건)

  • Choi Jeong-Yeol;Cho Deok-Rae
    • Journal of the Korean Society of Propulsion Engineers
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    • v.10 no.2
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    • pp.1-14
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    • 2006
  • Present study examines the numerical issues of cell structure simulation for various regimes of detonation phenomena ranging from weakly unstable to highly unstable detonations. Inviscid fluid dynamics equations with $variable-{\gamma} $ formulation and one-step Arrhenius reaction model are solved by a MUSCL-type TVD scheme and 4th order accurate Runge-Kutta time integration scheme. A series of numerical studies are carried out for the different regimes of the detonation phenomena to investigate the computational requirements for the simulation of the detonation wave cell structure by varying the reaction constants and grid resolutions. The computational results are investigated by comparing the solution of steady ZND structure to draw out the minimum grid resolutions and the size of the computational domain for the capturing cell structures of the different regimes of the detonation phenomena.

An Extraction of Detailed Isoconversional Kinetic Scheme of Energetic Materials using Isothermal DSC (등전환법과 등온 DSC를 이용한 고에너지 물질의 정밀 반응모델 개발)

  • Kim, Yoocheon;Park, Jungsu;Kwon, Kuktae;Yoh, Jai-ick
    • Journal of the Korean Society of Propulsion Engineers
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    • v.20 no.2
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    • pp.46-55
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    • 2016
  • The kinetic analysis of a heavily aluminized cyclotrimethylene-trinitramine(RDX) is conducted using differential scanning calorimetry(DSC), and the Friedman isoconversional method is applied to the DSC experimental data. The pre-exponential factor and activation energy are extracted as a function of the product mass fraction. The extracted kinetic scheme does not assume multiple chemical steps to describe the complex response of energetic materials; instead, a set of multiple Arrhenius factors is constructed based on the local progress of the exothermic reaction. The resulting reaction kinetic scheme is applied to two thermal decomposition tests for validating the reactive flow response of a heavily aluminized RDX. The results support applicability of the present model to practical thermal explosion systems.

A Gas Phase Kinetic Study on the Thermal Decomposition of $ClCH_2CH_2CH_2Br$

  • Kim, Sung-Hoon;Choo, Kwang-Yul;Jung, Kyung-Hoon
    • Bulletin of the Korean Chemical Society
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    • v.10 no.3
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    • pp.262-269
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    • 1989
  • The gas phase thermal decomposition of 1-bromo-3-chloropropane in the presence of radical inhibitor was studied by using the conventional static system. The mechanism of unimolecular elimination channel is shown below. [...] In this scheme, the total molecular dissociation rate constant, ($k_1\;+\;k_2$), for the decomposition of $BrCH_2CH_2CH_2Cl$ was determined by pyrolyzing the $BrCH_2CH_2CH_2Cl$ in the temperature range of $380-420^{\circ}C$ and in the pressure range of 10∼100 torr. To obtain $k_3\;and\;k_4,\;and\;to\;obtain\;k_1\;and\;k_2$ independently, the thermal decompositions of allyl chloride and allyl bromide were also studied. The Arrhenius parameters for each step are as follows; $log\;A_{\infty}\;=\;14.20(sec^{-1}),\;E_a$ = 56.10(kcal/mol) for reaction path 1; $log\;A_{\infty}\;=\;12.54(sec^{-1}),\;E_a$ = 49.75(kcal/mol) for reaction path 2; $log\;A_{\infty}\;=\;13.41(sec^{-1}),\;E_a$ = 50.04(kcal/mol) for reaction path 3; $log\;A_{\infty}\;=\;12.43(sec^{-1}),\;E_a$ = 52.78(kcal/mol) for reaction path 4; Finally, the experimentally observed pressure dependence of the rate constants in each step is compared with the theoretically predicted values that are obtained by the RRKM calculations.

Numerical Simulation of NO Emission and Combustion Characteristics in Furnace (연소로에서 NO 배출 및 연소특성에 대한 수치해석적 연구)

  • 전영남
    • Journal of Korean Society for Atmospheric Environment
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    • v.12 no.5
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    • pp.577-585
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    • 1996
  • A screening study was performed in order to resolve the flow, combustion and emission characteristics of the gas furmace with co-axial diffusion flane burner. A control-valume based finite-difference method with the power-law scheme was employed for discretization. Numerical procedure for the differential equation was used by SIMPLEST to enclosute rapid converge. A k-.varepsilon. model was incorporated for the closure of turbulence. The mass fraction and mixture fraction were calculated by cinserved scalar method. An equilibrium analysis was employed to determine the concentration of radicals in the product stream and conserbation equations were them solved for N amd NO by Zelovich reaction scheme. The method was exercised in a simple one-dimensional case first, to determine the effects of air ratio, temperature and residence time on NO formation and applied to a furnace with co-axial diffusion flame burner.

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Numerical Simulation of Laminar Reacting Flows Using Unstructured Finite Volume Method With Adaptive Refinement

  • Kang, Sung-Mo;Kim, Hoo-Joong;Kim, Yong-Mo
    • Journal of the Korean Society of Combustion
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    • v.6 no.2
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    • pp.15-22
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    • 2001
  • A pressure-based, unstructured finite volume method has been applied to couple the chemical kinetics and fluid dynamics and to capture effectively and accurately the steep gradient flame field. The pressure-velocity coupling is handled by two methodologies including the pressure-correction algorithm and the projection scheme. A stiff, operator-split projection scheme for the detailed nonequilibrium chemistry has been employed to treat the stiff reaction source terms. The conservative form of the governing equations are integrated over a cell-centered control volume with collocated storage for all transport variables. Computations using detailed chemistry and variable transport properties were performed for two laminar reacting flows: a counterflow hydrogen-air diffusion flame and a lifted methane-air triple flame. Numerical results favorably agree with measurements in terms of the detailed flame structure.

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Suicidal Inhibition Kinetics of MAO by Tranylcypromine Enantiomers (Tranylcypromine 광학이성질체에 의한 MAO 자살억제의 반응속도론)

  • Kang, Gun-Il;Choi, Myung-Hee
    • YAKHAK HOEJI
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    • v.33 no.1
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    • pp.64-71
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    • 1989
  • Since time-dependent inactivation of MAO was found to be complete in a few minutes when high concentration ratios of tranylcypromine to MAO were used, a method to obtain kinetic parameters was sought suitable to the conditions in which concentrations of tranylcypromine analogs did not exceed that of MAO. For the purpose, kinetic equations were derived and the method applied to the kinetic studies of tranylcypromine enantiomers. It was found that (E)-(+)-2-phenylcyclopropylamine inhibited MAO by the mechanism following bimolecular reaction scheme with $\tilde{K}_i$ of $2.0\;{\times}\;10^6M^{-1}min^{-1}$. Whereas, MAO-inhibitory pattern of the (-)-enantiomer was to be interpreted by suicide inhibition scheme and measured $k_{in}\;and\;\tilde{K}'$ were $0.457\;min^{-1}\;and\;$5.4{\mu}M$, respectively.

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Dynamic Modeling and Control of Flexible Space Structures

  • Chae, Jang-Soo;Park, Tae-Won
    • Journal of Mechanical Science and Technology
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    • v.17 no.12
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    • pp.1912-1921
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    • 2003
  • This paper presents a global mode modeling of space structures and a control scheme from the practical point of view. Since the size of the satellite has become bigger and the accuracy of attitude control more strictly required, it is necessary to consider the structural flexibility of the spacecraft. Although it is well known that the finite element (FE) model can accurately model the flexibility of the satellite, there are associated problems : FE model has the system matrix with high order and does not provide any physical insights, and is available only after all structural features have been decided. Therefore, it is almost impossible to design attitude and orbit controller using FE model unless the structural features are in place. In order to deal with this problem, the control design scheme with the global mode (GM) model is suggested. This paper describes a flexible structure modeling and three-axis controller design process and demonstrates the adequate performance of the design with respect to the maneuverability by applying it to a large flexible spacecraft model.