• Title/Summary/Keyword: Reactor modeling

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Designing Desulfurization Reactor by Numerical Modeling including Desulfurization, Regeneration Processes, and Adsorption Rate Estimation (탈황, 재생공정 및 흡착속도 추정을 포함한 디젤용 탈황반응기 설계)

  • Choi, Chang Yong;Im, Do Jin
    • Korean Chemical Engineering Research
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    • v.55 no.6
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    • pp.874-880
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    • 2017
  • In this study, we performed numerical simulation of the adsorptive desulfurization reactor for a 100 kW fuel cell. Using experimental results and the adsorption kinetics theory, the adsorption rate of sulfur in diesel was estimated and verified by numerical analysis. By analyzing the performance of desulfurization according to reactor size, the optimal reactor size was determined. By maximizing processed diesel amount, optimal diesel flow rate was determined. Regeneration process was also confirmed for the obtained optimal reactor size. The present work will be utilized to design a diesel desulfurization reactor for a fuel cell used in a ship by further process modeling and economic analysis.

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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    • v.35 no.12
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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.

Modeling of Gasifier with PRO/II (PRO/II를 사용한 가스화기 모델링)

  • Kim, KwangSin;Joo, Yong-Jin;Kim, Mi Yeong;Kim, Si-Moon;Lee, Joongwon;Kim, Ki-Tae
    • 한국신재생에너지학회:학술대회논문집
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    • 2010.11a
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    • pp.131.2-131.2
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    • 2010
  • 서부 발전 태안화력발전소에 건설 예정인 IGCC Demo plant의 설계 자료를 근거로 석탄 가스화기의 정상 상태 전산모사를 PRO/II를 사용하여 수행하였다. 석탄을 PRO/II가 받아들일 수 있는 성분으로 바꾼 후 가스화기를 버너와 가스화기 본체의 두 부분으로 나누어 모델링하였다. 버너는 단열조건의 Gibbs Reactor로 모델링하였다. 모사 결과 산소가 완전 소진될 때까지 반응이 진행되는 것을 확인하였다. 가스화기는 char gasification 반응은 kinetic reaction equation으로, gas phase reaction은 equilibrium reactor로 모사하는 알고리듬을 개발 하였으나 PRO/II의 기능에 한계가 있어 간단한 Gibbs Reactor로 모사하였다. 가스화기는 membrane wall에 의하여 냉각되는 것을 고려하여 $1550^{\circ}C$의 균일한 온도에서 반응이 일어나는 것으로 고려하였다. 전산 모사 결과 주요 성분의 조성이 실제 syngas의 조성과 5% 정도 오차가 있는 것으로 나타났다.

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EMTDC Modeling Method of DC Reactor type Superconducting Fault Current Limiter

  • Lee, Jaedeuk;Park, Minwon;Yu, In-Keun
    • Progress in Superconductivity and Cryogenics
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    • v.5 no.1
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    • pp.56-59
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    • 2003
  • As electric power systems grow to supply the increasing electric power demand short-circuit current tends to increase and impose a severe burden on circuit breakers and power system apparatuses. Thus, all electric equipment in a power system has to he designed to withstand the mechanical and thermal stresses of potential short-circuit currents. Among current limiting devices, Fault Current Limiter (FCL) is expected to reduce the short-circuit current. Especially, Superconducting Fault Current Limiters (SFCL) offer ideal performance: in normal operation the SFCL is in its superconducting state and has negligible impedance, in the event of a fault, the transition into the normal conducting state passively limits the current. The SFCL using high-temperature superconductors offers a positive resolution to controlling fault-current levels on utility distribution and transmission networks. This study contributes to the EMTDC based modeling and simulation method of DC Reactor type SFCL. Single and three phase faults in the utility system with DC reactor type SFCLs have been simulated using EMTDC in order to coordinate with other equipments, and the results are discussed in detail.

Relative Power Density Distribution Calculations of the Kori Unit 1 Pressurized Water Reactor with Full-Scope Explicit Modeling of Monte Carlo Simulation

  • Kim, Jong-Oh;Kim, Jong-Kyung
    • Nuclear Engineering and Technology
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    • v.29 no.5
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    • pp.375-384
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    • 1997
  • Relative power density distributions of the Kori Unit 1 pressurized water reactor are calculated by Monte Carlo modeling with the MCNP code. The Kori Unit 1 core is modeled on a three-dimensional representation of the one-eighth of the reactor in-vessel component with reflective boundaries at 0 and 45 degrees. The axial core model is based on half core symmetry and is divided into four axial segments. Fission reaction density in each rod is calculated by following 100 cycles with 5,000 test neutrons in each cycle after starling with a localized neutron source and ten noncontributing settle cycles. Relative assembly power distributions are calculated from fission reaction densities of rods in assembly. After 100 cycle calculations, the system converges to a k value of 1.00039 $\geq$ 0.00084. Relative assembly power distribution is nearly the same with that of the Kori Unit 1 FSAR. Applicability of the full-scope Monte Carlo simulation in the power distribution calculation is examined by the relative root moan square error of 2.159%.

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Modeling and Simulation on a Direct Esterification Reactor for PET Polymerization and energy analysis (PET 직접 에스테르화 중합 반응기의 모델링 및 시뮬레이션과 에너지적 분석)

  • 김주열;권태인;여영구
    • Proceedings of the Korea Society for Simulation Conference
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    • 2000.11a
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    • pp.67-72
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    • 2000
  • PET는 합성섬유, 필름, 음료수병, 성형 플라스틱 등의 다양한 용도를 가지고 있으며 특히 섬유 원료부분에서는 전세계의 약 40%이상을 차지하고 있는 상업적 입장에서 아주 중요한 소재이다.[1]그러나, PET 제조공정은 긴 반응시간과 높은 반응온도, 대용량의 다단계 공정시설을 필요로 하는 대표적인 에너지 다소비 공정으로서 현대의 치열한 고분자 제품의 시장경쟁 상황에서 에너지 투입량 감축을 위한 공정의 해석 및 개발과 그로 인한 생산원가의 절감이 필수적이다. 본 연구에서는 실제 공장에서 사용되는 단일 연속식 직접 에스테르화 반응기(CSTR Direct Esterification Reactor)를 모델링하고 Van Krevelen[2]의 Group contribution method로 계산된 올리고머의 열용량값을 이용하여 에너지 소모량을 계산하였다. 모델링 결과는 모두 실제 공장의 자료와 비교되었으며 가장 제어하기 쉬운 변수에 따른 반응물의 물성과 에너지 소모량을 분석하였다. 또한 압력이 일정한 조건 하에서 입력변화에 따른 반응기의 동적 모델링을 동시에 수행하였으며 투입에너지량과 반응기의 운전지표와의 관계를 분석하였다. 이러한 연구는 실제 공정분석과 최적화에 있어서 소모 에너지량을 고려한 보다 정확한 지표를 제시하고 에너지 사용의 효율성을 높이는 데 기여할 수 있다.

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Surrogate based model calibration for pressurized water reactor physics calculations

  • Khuwaileh, Bassam A.;Turinsky, Paul J.
    • Nuclear Engineering and Technology
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    • v.49 no.6
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    • pp.1219-1225
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    • 2017
  • In this work, a scalable algorithm for model calibration in nuclear engineering applications is presented and tested. The algorithm relies on the construction of surrogate models to replace the original model within the region of interest. These surrogate models can be constructed efficiently via reduced order modeling and subspace analysis. Once constructed, these surrogate models can be used to perform computationally expensive mathematical analyses. This work proposes a surrogate based model calibration algorithm. The proposed algorithm is used to calibrate various neutronics and thermal-hydraulics parameters. The virtual environment for reactor applications-core simulator (VERA-CS) is used to simulate a three-dimensional core depletion problem. The proposed algorithm is then used to construct a reduced order model (a surrogate) which is then used in a Bayesian approach to calibrate the neutronics and thermal-hydraulics parameters. The algorithm is tested and the benefits of data assimilation and calibration are highlighted in an uncertainty quantification study and requantification after the calibration process. Results showed that the proposed algorithm could help to reduce the uncertainty in key reactor attributes based on experimental and operational data.

Quantitative Estimation of Radiation Damage in Reactor Pressure Vessel Steels by Using Multiscale Modeling (멀티스케일 모델링을 이용한 압력용기강의 조사손상 정량예측)

  • Lee, Gyeong-Geun;Kwon, Junhyun
    • Transactions of the Korean Society of Pressure Vessels and Piping
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    • v.10 no.1
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    • pp.113-121
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    • 2014
  • In this work, an integrated model including molecular dynamics and chemical rate theory was implemented to calculate the growth of point defect clusters(PDC) and copper-rich precipitates(CRP) which could change the mechanical properties of reactor pressure vessel(RPV) steels in a nuclear power plant. A number of time-dependent differential equations were established and numerically integrated to estimate the evolution of irradiation defects. The calculation showed that the concentration of the vacancies was higher than that of the self-interstitial atoms. The higher concentration of vacancies induced a formation of the CRPs in the later stage. The size of the CRPs was used to estimate the mechanical property changes in RPV steels, as is the same case with the PDCs. The calculation results were compared with the measured values of yield strength change and Charpy V-notch transition temperature shift, which were obtained from the surveillance test data of Korean light water reactors(LWRs). The estimated values were in fair agreement with the experimental results in spite of the uncertainty of the modeling parameters.

Tubular reactor design for the oxidative dehydrogenation of butene using computational fluid dynamics (CFD) modeling

  • Mendoza, Joseph Albert;Hwang, Sungwon
    • Korean Journal of Chemical Engineering
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    • v.35 no.11
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    • pp.2157-2163
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    • 2018
  • Catalytic reactors have been essential for chemical engineering process, and different designs of reactors in multi-scales have been previously studied. Computational fluid dynamics (CFD) utilized in reactor designs have been gaining interest due to its cost-effective advantage in designing the actual reactors before its construction. In this work, butadiene synthesis via oxidative dehydrogenation (ODH) of n-butene using tubular reactor was used as a case study in the CFD model. The effects of coolant and reactor diameter were investigated in assessing the reactor performance. Based on the results of the CFD model, the conversion and selectivity were 86.5% and 59.5% respectively in a fixed bed reactor under adiabatic condition. When coolants were used in a tubular reactor, reactor temperature profiles showed that solar salt had lower temperature gradients inside the reactor than the cooling water. Furthermore, higher conversion (90.9%) and selectivity (90.5%) were observed for solar salt as compared to the cooling water (88.4% for conversion and 86.3% for selectivity). Meanwhile, reducing the reactor diameter resulted in smaller temperature gradients with higher conversion and selectivity.