• Title/Summary/Keyword: Reactor kinetics

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An Experimental and Modeling Study on the Oxidation Kinetics of Nitric Oxide over Platinum-based Catalysts (백금계 촉매상에서 산화질소(NO)의 산화반응속도에 관한 실험 및 모델링 연구)

  • Kim, Young-Deuk;Jeong, Soo-Jin;Kim, Woo-Seung
    • Transactions of the Korean Society of Automotive Engineers
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    • v.20 no.5
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    • pp.71-80
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    • 2012
  • To improve the $NO_X$ conversion over a SCR (selective catalytic reduction) catalyst, the DOC (diesel oxidation catalyst) is usually placed upstream of the SCR catalyst to enhance the fast SCR reaction ($4NH_3+2NO+2NO_2{\rightarrow}4N_2+6H_2O$) using equimolar amounts of NO and $NO_2$. Here, a ratio of $NO_2/NO_X$ above 50% should be avoided, because the reaction with $NO_2$ only ($4NH_3+4NO+O_2{\rightarrow}4N_2+6H_2O$) is slower than the standard SCR reaction ($4NH_3+4NO+O_2{\rightarrow}4N_2+6H_2O$). In order to accurately predict the performance characteristics of SCR catalysts, it is therefore desired to develop a more simple and reliable mathematical and kinetic models on the oxidation kinetics of nitric oxide over a DOC. In the present work, the prediction accuracy and limit of three different chemical reaction kinetics models are presented to describe the chemicophysical characteristics and conversion performance of DOCs. Steady-state experiments with DOCs mounted on a light-duty four-cylinder 2.0-L turbocharged diesel engine then are performed, using an engine-dynamometer system to calibrate the kinetic parameters such as activation energies and preexponential factors of heterogeneous reactions. The reaction kinetics for NO oxidation over Pt-based catalysts is determined in conjunction with a transient one-dimensional (1D) heterogeneous plug flow reactor (PFR) model with diesel exhaust gas temperatures in the range of 115~$525^{\circ}C$ and space velocities in the range of $(0.4{\sim}6.5){\times}10^5\;h^{-1}$.

Study on Kinetics and Syngas Production of Sewage Sludge Gasification (하수슬러지 가스화의 kinetics 및 합성가스 생산 연구)

  • Roh, Seon Ah
    • Resources Recycling
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    • v.24 no.6
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    • pp.3-8
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    • 2015
  • Gasification characteristics and gas produced from a sewage sludge char were analyzed by using a thermobalance reactor, which is used for a reaction kinetic analysis by measuring weight change of materials at a desired temperature. Gasification reaction rate increased with increasing temperature and steam partial pressure due to the promotion of gasification reaction. Three models of gas-solid reaction were applied to the reaction kinetics analysis and modified volumetric reaction model was an appropriated model for the steam gasification of the sewage sludge char. Apparent activation energy and pre-exponential factors were evaluated as 155.5 kJ/mol and $14,087s^{-1}atm^{-1}$, respectively. The order of reaction on steam partial pressure was 0.68. Gas analysis was performed at $900^{\circ}C$ and hydrogen concentration was highest in the gas concentrations, which increased with increasing the steam partial pressure. Hydrogen concentration increased the most and hydrogen concentration in the produced gas was 2-4 times higher than that of carbon monoxide due to the gasification and water gas shift reaction.

Robust power control design for a small pressurized water reactor using an H infinity mixed sensitivity method

  • Yan, Xu;Wang, Pengfei;Qing, Junyan;Wu, Shifa;Zhao, Fuyu
    • Nuclear Engineering and Technology
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    • v.52 no.7
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    • pp.1443-1451
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    • 2020
  • The objective of this study is to design a robust power control system for a small pressurized water reactor (PWR) to achieve stable power operations under conditions of external disturbances and internal model uncertainties. For this purpose, the multiple-input multiple-output transfer function models of the reactor core at five power levels are derived from point reactor kinetics equations and the Mann's thermodynamic model. Using the transfer function models, five local reactor power controllers are designed using an H infinity (H) mixed sensitivity method to minimize the core power disturbance under various uncertainties at the five power levels, respectively. Then a multimodel approach with triangular membership functions is employed to integrate the five local controllers into a multimodel robust control system that is applicable for the entire power range. The performance of the robust power system is assessed against 10% of full power (FP) step load increase transients with coolant inlet temperature disturbances at different power levels and large-scope, rapid ramp load change transient. The simulation results show that the robust control system could maintain satisfactory control performance and good robustness of the reactor under external disturbances and internal model uncertainties, demonstrating the effective of the robust power control design.

Multiscale Modeling and Simulation of Water Gas Shift Reactor (Water Gas Shift Reactor의 Multiscale 모델링 및 모사)

  • Lee, Ukjune;Kim, Kihyun;Oh, Min
    • Korean Chemical Engineering Research
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    • v.45 no.6
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    • pp.582-590
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    • 2007
  • In view of the analysis of the phenomena and the prediction of the performance, mathematical modelling and simulation of a high temperature pilot reactor for water gas shift reaction (WGSR) has been carried out. Multiscale simulation incorporated computational fluid dynamics (CFD) technique, which has the capability to deal with the reactor shape, fluid and energy transport with extensive degree of accuracy, and process modeling technique, which, in turn is responsible for reaction kinetics and mass transport. This research employed multiscale simulation and the results were compared with those from process simulation. From multiscale simulation, the maximum conversion of was predicted approximately 0.85 and the maximum temperature at the reactor was calculated 720 K, resulting from the heat of reaction. Dynamic simulation was also performed for the time transient profile of temperature, conversion, etc. Considering the results, it is concluded that multiscale simulation is a safe and accurate technique to predict reactor behaviors, and consequently will be available for the design of commercial size chemical reactors as well as other commercial unit operations.

The Characteristics of Organic Degradation and Ammonia Volatilization in the Liquid Composting of Pig Slurry

  • Kim, Chang-Gyu;Oh, Seung-Yong;Yoon, Young-Man
    • Korean Journal of Soil Science and Fertilizer
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    • v.50 no.5
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    • pp.325-335
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    • 2017
  • This study was carried out for 30 days in aeration type and agitation type reactor to characterize organic matter decomposition and ammonia volatilization during the liquid composting of pig slurry, and organic matter and nitrogen removal rate through mass balance analysis was analyzed. In the aeration type reactor, the pH increased from 7.0 to 9.13, and TS 34.5%, VS 33.4%, $BOD_5$ 71.2%, $COD_{Cr}$ 62.3% and TOC 83.2% were removed. In addition, 44.6% of TN and 65.0% of ${NH_4}^+-N$ were removed. In the agitation type reactor, the pH increased from 7.0 to 8.10, and the removal rates of TS 0.9%, VS 0.5%, $COD_{Cr}$ 27.5%, $BOD_5$ 28.9% and TOC 41.3% were obtained. And TN and ${NH_4}^+-N$ showed removal rate of 25.3% and 29.2%, respectively. The first order kinetics constant related to $BOD_5$ degradation was $-0.039day^{-1}$ for aerobic liquid composting and $-0.013day^{-1}$ for agitated reactor. Nitrogen loss in aerobic liquid composting was about 2.3 times higher than that of agitated reactor, whereas FAN/TAN in aerobic liquid composting was about 7.9 times higher than that of agitation type reactor. Therefore, despite the low FAN/TAN in the agitation type reactor, the nitrogen loss rate was relatively high.

Impact of Internal/External Diffusion on Gasification Reaction Rate Analysis of Coal Char in High Temperatures and Elevated pressures (고온/고압 조건에서의 석탄 촤 내부 및 외부 가스화 반응효과)

  • Kim, Gyeong-Min;Kim, Jin-Ho;Lisandy, Kevin Yohanes;Kim, Ryang-Gyoon;Kim, Gyu-Bo;Jeon, Chung-Hwan
    • Journal of the Korean Society of Combustion
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    • v.21 no.4
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    • pp.23-29
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    • 2016
  • Reactivity of gasification defined by bouardard reaction is critical parameter in efficiency of the gasifier. In this study, char reactivity of the gasification was derived from the experiments using the intrinsic reaction kinetics model. Pressurized wire mesh heating reactor (PWMR) can produce high temperature and high pressure conditions up to 50 atm and 1750 K, respectively and PWMR was designed to evaluate the intrinsic reaction kinetics of $CO_2$ gasification. In this study, Kideco and KCH (sub-bituminous Indonesian coal) were pulverized and converted into char. Experiments used the PWMR were conducted and the conditions of the temperature and pressure were 1373~1673 K, 1~40 atm. To distinguish the pressure effect from high pressurized condition, internal and external effectiveness factors were considered. Finally, the intrinsic kinetics of the Kideco and KCH coal char were derived from $n^{th}$ order reaction rate equations.

Development and Evaluation of Predictive Model for Microstructures and Mechanical Material Properties in Heat Affected Zone of Pressure Vessel Steel Weld (압력용기강 용접 열영향부에서의 미세조직 및 기계적 물성 예측절차 개발 및 적용성 평가)

  • Kim, Jong-Sung;Lee, Seung-Gun;Jin, Tae-Eun
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.26 no.11
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    • pp.2399-2408
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    • 2002
  • A prediction procedure has been developed to evaluate the microtructures and material properties of heat affected zone (HAZ) in pressure vessel steel weld, based on temperature analysis, thermodynamics calculation and reaction kinetics model. Temperature distributions in HAE are calculated by finite element method. The microstructures in HAZ are predicted by combining the temperature analysis results with the reaction kinetics model for austenite grain growth and austenite decomposition. Substituting the microstructure prediction results into the previous experimental relations, the mechanical material properties such as hardness, yielding strength and tensile strength are calculated. The prediction procedure is modified and verified by the comparison between the present results and the previous study results for the simulated HAZ in reactor pressure vessel (RPV) circurnferential weld. Finally, the microstructures and mechanical material properties are determined by applying the final procedure to real RPV circumferential weld and the local weak zone in HAZ is evaluated based on the application results.

Reaction Characteristics and Kinetics of Ni-bsed Oxygen Carrier for Chemical Looping Combustion (매체순환연소를 위한 Ni계열 산소전달입자의 반응 특성 및 반응 모델)

  • PARK, JI HYE;HWANG, RA HYUN;BAEK, JEOM-IN;RYU, HO-JUNG;YI, KWANG BOK
    • Transactions of the Korean hydrogen and new energy society
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    • v.29 no.1
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    • pp.90-96
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    • 2018
  • Reaction characteristics and kinetics of a oxygen carrier (OCN717-R1SU) for chemical looping combustion (CLC) have been investigated using TGA by changing gas concentration (10-30 vol.% $CH_4$) and reaction temperature ($825-900^{\circ}C$). Reaction rate of OCN717-R1SU increased as temperature increased and it was found that reaction is delayed at the initial reaction regime. Johnson-Mehl-Avrami (JMA) model was adopted to explain the reaction phenomenon. The activation energy (E) determined by JMA model in reduction reaction of OCN717-R1SU is $151.7{\pm}2.03kJ/mol$ and pre-exponential factor and JMA exponent were also obtained. The parameters calculated in this study will be applied in design of the reactor and operation conditions for CLC process.

A new nano-ZnO/perlite as an efficient catalyst for catalytic ozonation of azo dye

  • Shokrollahzadeh, Soheila;Abassi, Masoud;Ranjbar, Maryam
    • Environmental Engineering Research
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    • v.24 no.3
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    • pp.513-520
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    • 2019
  • In this investigation, nano ZnO was sonochemically synthesized by a novel method using a methionine precursor. A narrow size distribution (41-50 nm) of nano ZnO was achieved that was immobilized on perlite and applied as a catalyst in catalytic ozonation. The catalyst was characterized by fourier transform infrared spectroscopy, BET surface area, and field emission scanning electron microscope. The ozonation of recalcitrant Remazol black 5 (RB5) di-azo dye solution by means of the synthesized catalyst was investigated in a bubble column slurry reactor. The influence of pH values (7, 9, 11), catalyst dosage (8, 12, 15, $20g\;L^{-1}$) and reaction time (10, 20, 30, 60 min) was investigated. Although the dye color was completely removed by single ozonation at a higher reaction time, the applied nanocatalyst improved the dye declorination kinetics. Also, the degradation of the hazardous aromatic fraction of the dye was enhanced five-times by catalytic ozonation at a low reaction time (10 min) and a neutral pH. The second-order kinetics was best fitted in terms of both RB5 color and its aromatic fraction removal. The total organic carbon analysis indicated a significant improvement in the mineralization of RB5 by catalytic ozonation using the nano-ZnO/perlite catalyst.

A Systems Engineering Approach to Multi-Physics Analysis of CEA Ejection Accident

  • Sebastian Grzegorz Dzien;Aya Diab
    • Journal of the Korean Society of Systems Engineering
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    • v.19 no.2
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    • pp.46-58
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    • 2023
  • Deterministic safety analysis is a crucial part of safety assessment, particularly when it comes to demonstrating the safety of nuclear power plant designs. The traditional approach to deterministic safety analysis models is to model the nuclear core using point kinetics. However, this simplified approach does not fully reflect the real core behavior with proper moderator and fuel reactivity feedbacks during the transient. The use of Multi-Physics approach allows more precise simulation reflecting the inherent three-dimensionality (3D) of the problem by representing the detailed 3D core, with instantaneous updates of feedback mechanisms due to changes of important reactivity parameters like fuel temperature coefficient (FTC) and moderator temperature coefficient (MTC). This paper addresses a CEA ejection accident at hot full power (HFP), in which the underlying strong and un-symmetric feedback between thermal-hydraulics and reactor kinetics exist. For this purpose, a multi-physics analysis tool has been selected with the nodal kinetics code, 3DKIN, implicitly coupled to the thermal-hydraulic code, RELAP5, for real-time communication and data exchange. This coupled approach enables high fidelity three-dimensional simulation and is therefore especially relevant to reactivity initiated accident (RIA) scenarios and power distribution anomalies with strong feedback mechanisms and/or un-symmetrical characteristics as in the CEA ejection accident. The Systems Engineering approach is employed to provide guidance in developing the work in a systematic and efficient fashion.