• 제목/요약/키워드: Chemical kinetic modeling

검색결과 65건 처리시간 0.02초

A Chemical Kinetic Model Including 54 Reactions for Modeling Air Nonequilibrium Inductively Coupled Plasmas

  • Yu, Minghao;Wang, Wei;Yao, Jiafeng;Zheng, Borui
    • Journal of the Korean Physical Society
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    • 제73권10호
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    • pp.1519-1528
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    • 2018
  • The objective of the present study is the development of a comprehensive air chemical kinetic model that includes 11 species and 54 chemical reactions for the numerical investigation of air nonequilibrium inductively coupled plasmas. The two-dimensional, compressible Navier-Stokes equations coupled with the electromagnetic-field equations were employed to describe the fundamental characteristics of an inductive plasma. Dunn-Kangs 32 chemical-reaction model of air was reconstructed and used as a comparative model. The effects of the different chemical kinetic models on the flow field were analyzed and discussed at identical/different working pressures. The results theoretically indicate that no matter the working pressure is low or high, the use of the 54 chemical kinetic model presented in this study is a better choice for the numerical simulation of a nonequilibrium air ICP.

가솔린 엔진에서의 노킹 현상 해석 (Investigation of the Knocking Phenomenon in SI Engines)

  • 민경덕
    • 한국연소학회:학술대회논문집
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    • 한국연소학회 2000년도 제21회 KOSCO SYMPOSIUM 논문집
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    • pp.17-23
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    • 2000
  • Knock in SI engines causes physical damage to the piston and combustion chamber and lowers the thermal efficiency. The increase in compression ratio which can improve the thermal efficiency and engine performance has been limited by engine knock. So the need of making clear the knocking phenomenon has increased. This paper reviews the methods of knock detection, characterization and prediction of knock with the reduced chemical kinetic modeling.

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가솔린 엔진에서의 노킹 현상 해석 (Investigation of the Knocking Phenomenon in SI Engines)

  • 민경덕
    • 한국연소학회지
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    • 제5권2호
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    • pp.29-35
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    • 2000
  • Knock in SI engines causes physical damage to the piston and combustion chamber and lowers the thermal efficiency. The increase in compression ratio which can improve the thermal efficiency and engine performance has been limited by engine knock. So the need of making clear the knocking phenomenon has increased. This paper reviews the methods of knock detection, characterization and prediction of knock with the reduced chemical kinetic modeling.

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Effects of Dissolved Oxygen and Agitation on Production of Serratiopeptidase by Serratia Marcescens NRRL B-23112 in Stirred Tank Bioreactor and its Kinetic Modeling

  • Pansuriya, Ruchir C.;Singhal, Rekha S.
    • Journal of Microbiology and Biotechnology
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    • 제21권4호
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    • pp.430-437
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    • 2011
  • The effects of the agitation and aeration rates on the production of serratiopeptidase (SRP) in a 5-L fermentor (working volume 2-l) were systematically investigated using Serratia marcescens NRRL B-23112. The dissolved oxygen concentration, pH, biomass, SRP yield, and maltose utilization were all continuously measured during the course of the fermentation runs. The efficiencies of the aeration and agitation were evaluated based on the volumetric mass transfer coefficient ($K_La$). The maximum SRP production of 11,580 EU/ml with a specific SRP productivity of 78.8 EU/g/h was obtained with an agitation of 400 rpm and aeration of 0.075 vvm, which was 58% higher than the shake-flask level. The $K_La$ for the fermentation system supporting the maximum production (400 rpm, 0.075 vvm) was 11.3 $h^{-1}$. Under these fermentor optimized conditions, kinetic modeling was performed to understand the detailed course of the fermentation process. The resulting logistic and Luedeking-Piret models provided an effective description of the SRP fermentation, where the correlation coefficients for cell growth, SRP formation, and substrate consumption were 0.99, 0.94, and 0.84, respectively, revealing a good agreement between the model-predicted and experimental results. The kinetic analysis of the batch fermentation process for the production of SRP demonstrated the SRP production to be mixed growth associated.

Removal of Heavy metal Ions from Aqueous Solutions by Adsorption on Magadiite

  • 정순용;이정민
    • Bulletin of the Korean Chemical Society
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    • 제19권2호
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    • pp.218-222
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    • 1998
  • Removal of Cd(Ⅱ), Zn(Ⅱ) and Cu(Ⅱ) from aqueous solutions using the adsorption process on magadiite has been investigated. It was found that the removal percentage of metal cations at equilibrium increases with increasing temperature, and follows the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). Equilibrium modeling of adsorption showed that the adsorptions of Cd(Ⅱ), Cu(Ⅱ), and Zn(Ⅱ) were fitted to Langmuir isotherm. Kinetic modeling of the adsorption showed that first order reversible kinetic model fitted to experimental data. From kinetic model and equilibrium data, the overall rate constant (k) and the equilibrium constant (K) for the adsorption process were calculated. The overall rates of adsorption of metal ions follow the order of Cd(Ⅱ) > Cu(Ⅱ) > Zn(Ⅱ). From the results of thermodynamic analysis, standard Gibbs free energy (ΔG°), standard enthalpy (ΔH°), and standard entropy (ΔS°) of adsorption process were calculated.

수소 생성을 위한 고정상 메탄 매체 순환 개질 시스템 모델링 (Packed Bed Methane Chemical-Looping Reforming System Modeling for the Application to the Hydrogen Production)

  • 하종주;송순호
    • 한국수소및신에너지학회논문집
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    • 제28권5호
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    • pp.453-458
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    • 2017
  • A study on the modeling of the methane Chemical Looping Reforming system was carried out. It is aimed to predict the temperature and concentration behavior of the product through modeling of oxygen carrier fixed bed reactors composed of multiple stacks. In order to design the reaction system, first of all, the flow rate of the hydrogen to be produced was calculated. The flow rate ratio of the oxidation/reduction reactor was calculated considering the heat of reaction between adjacent reactors. Finally, in this paper, kinetic model including empirical coefficients was suggested.

Influencing Parameters on Supercritical Water Reactor Design for Phenol Oxidation

  • Akbari, Maryam;Nazaripour, Morteza;Bazargan, Alireza;Bazargan, Majid
    • Korean Chemical Engineering Research
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    • 제59권1호
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    • pp.85-93
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    • 2021
  • For accurate and reliable process design for phenol oxidation in a plug flow reactor with supercritical water, modeling can be very insightful. Here, the velocity and density distribution along the reactor have been predicted by a numerical model and variations of temperature and phenol mass fraction are calculated under various flow conditions. The numerical model shows that as we proceed along the length of the reactor the temperature falls from above 430 ℃ to approximately 380 ℃. This is because the generated heat from the exothermic reaction is less that the amount lost through the walls of the reactor. Also, along the length, the linear velocity falls to less than one-third of the initial value while the density more than doubles. This is due to the fall in temperature which results in higher density which in turn demands a lower velocity to satisfy the continuity equation. Having a higher oxygen concentration at the reactor inlet leads to much faster phenol destruction; this leads to lower capital costs (shorter reactor will be required); however, the operational expenditures will increase for supplying the needed oxygen. The phenol destruction depends heavily on the kinetic parameters and can be as high as 99.9%. Using different kinetic parameters is shown to significantly influence the predicted distributions inside the reactor and final phenol conversion. These results demonstrate the importance of selecting kinetic parameters carefully particularly when these predictions are used for reactor design.

일정온도 상승률 열분석법을 이용한 수지 경화 모델 개발 (A New Cure Kinetic Model Using Dynamic Differential Scanning Calorimetry)

  • 엄문광;황병선
    • 연구논문집
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    • 통권29호
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    • pp.151-162
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    • 1999
  • In general, manufacturing processes of thermosetting composites consist of mold filling and resin cure. The important parameters used in modeling and designing mold filling are the permeability of the fibrous preform and the viscosity of the resin. To consolidate a composite, resin cure or chemical reaction plays an essential role. Cure kinetics. Therefore, is necessary to quantify the extent of chemical reaction or degree of cure. It is also important to predict resin viscosity which can change due to chemical reaction during mold filling. There exists a heat transfer between the mold and the composite during mold filling and resin cure. Cure kinetics is also used to predict a temperature profile inside composite. In this study, a new scheme which can determine cure kinetics from dynamic temperature scaning was proposed. The method was applied to epoxy resin system and was verified by comparing measurements and predictions.

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Modeling, simulation and structural analysis of a fluid catalytic cracking (FCC) process

  • Kim, Sungho;Urm, Jaejung;Kim, Dae Shik;Lee, Kihong;Lee, Jong Min
    • Korean Journal of Chemical Engineering
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    • 제35권12호
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    • pp.2327-2335
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    • 2018
  • Fluid catalytic cracking (FCC) is an important chemical process that is widely used to produce valuable petrochemical products by cracking heavier components. However, many difficulties exist in modeling the FCC process due to its complexity. In this study, a dynamic process model of a FCC process is suggested and its structural observability is analyzed. In the process modeling, yield function for the kinetic model of the riser reactor was applied to explain the product distribution. Hydrodynamics, mass balance and energy balance equations of the riser reactor and the regenerator were used to complete the modeling. The process model was tested in steady-state simulation and dynamic simulation, which gives dynamic responses to the change of process variables. The result was compared with the measured data from operating plaint. In the structural analysis, the system was analyzed using the process model and the process design to identify the structural observability of the system. The reactor and regenerator unit in the system were divided into six nodes based on their functions and modeling relationship equations were built based on nodes and edges of the directed graph of the system. Output-set assignment algorithm was demonstrated on the occurrence matrix to find observable nodes and variables. Optimal locations for minimal addition of measurements could be found by completing the whole output-set assignment algorithm of the system. The result of this study can help predict the state more accurately and improve observability of a complex chemical process with minimal cost.