• 제목/요약/키워드: Kinetic Simulation

검색결과 466건 처리시간 0.024초

Application of Monte Carlo Simulation to Intercalation Electrochemistry II. Kinetic Approach to Lithium Intercalation into LiMn2O4 Electrode

  • Kim, Sung-Woo;Pyun, Su-Il
    • 전기화학회지
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    • 제5권2호
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    • pp.86-92
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    • 2002
  • 속도론적 관점에서 키네틱 몬테 카를로 방법의 전기화학적 리튬 인터칼레이션에로의 응용에 대하여 다루었다. 우선 키네틱 몬테 카를로 방법과 전이상태이론의 기본 개념을 소개하였고, 확산거동을 평가하기 위한 시뮬레이션 과정을 설명하였다. 마지막으로 인터칼레이션 화합물중 $LiMn_2O_4$전극에 대해 전류 추이곡선과 선형 포텐셜 전류곡선을 해석하기 위해서 전이상태이론에 근거한 키네틱 몬테 카를로 방법을 셀-저항 제어조건하에서 사용하였다. 이로부터 키네틱 몬테 카를로 방법이 전기화학분야에서 리튬 인터칼레이션의 속도론적 연구에 매우 유용함을 알 수 있었다.

Kinetic Monte Carlo 시뮬레이션을 이용한 흡착 원자의 확산 계수 결정 (A method for determination of diffusion parameters of adatoms using kinetic monte calo simulation)

    • 한국진공학회지
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    • 제9권4호
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    • pp.419-427
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    • 2000
  • 본 연구는 원자의 주변 환경에 따른 각각의 확산 속도를 구할 수 있는 기구를 제시하였다. STM 또는 HRLEED 등의 실험과 kinetic Monte Carlo(KMC) 시뮬레이션 계산과의 비교를 통하여 테라스 위 흡착 원자의 확산장벽, step 끝 부착 원자의 탈착 확산 장벽, 잘 알려진 Schwoebel 장벽을 포함한 각각의 확산 장벽을 구할 수 있었다. 팔-넓이, 군집 밀도, 거칠기 등이 시뮬레이션 계산과 실험 결과를 비교하는 데에 가장 적절한 원자단위의 구조변수들임을 확인하였고, 특히 아직 잘 사용되지 않은 구조 계수인 가지폭이 확산 장벽을 구별하여 구하는 데에 중요한 역할을 하는 것을 확인하였다.

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등온 DSC를 이용한 고에너지 물질의 정밀 반응 모델 기법 개발 (Kinetics analysis of energetic material using isothermal DSC)

  • 김유천;박정수;권국태;여재익
    • 한국연소학회:학술대회논문집
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    • 한국연소학회 2015년도 제51회 KOSCO SYMPOSIUM 초록집
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    • pp.219-222
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    • 2015
  • The kinetic analysis of energetic materials using Differential Scanning Calorimetry (DSC) is proposed. Friedman Isoconversional method is applied to DSC experiment data and AKTS software is used for analysis. The frequency factor and activation energy are extracted as a function of product mass fraction. The extracted kinetic scheme does not assume multiple chemical steps to describe the response of energetic materials; instead, multiple set of Arrhenius factors are used in describing a single global step. The proposed kinetic scheme has considerable advantage over the standard method based on One-Dimenaionl Time to Explosion (ODTX). Reaction rate and product mass fraction simulation are conducted to validate extracted kinetic scheme. Also a slow cook-off simulation is implemented for validating the applicability of the extracted kinetics scheme to a practical thermal experiment.

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Modified WASP5(EUTRO5) 의 개발 (Development of Modified WASP5(EUTRO5) for River Application)

  • 신동석;권순국
    • 한국농공학회:학술대회논문집
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    • 한국농공학회 1999년도 Proceedings of the 1999 Annual Conference The Korean Society of Agricutural Engineers
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    • pp.734-738
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    • 1999
  • This study is to modify the EUTRO5(sub-model of WASP5) for applying river water quality simulation. Because previous version of EUTRO5 has unique kinetic constant for all segement on each constituent, EUTRO5 is not adequate for some river simulation. As this version have each kinetic constant for all segment on each constituent, it will be suitable for model application with rapid changing geometry and kinetic purification of upstream river.

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유한요소 시뮬레이션을 통한 저온 분사 코팅의 계면 접합에 대한 연구 (Finite Element Simulation of Interface Bonding in Kinetic Sprayed Coatings)

  • 배규열;강기철;윤상훈;이창희
    • Journal of Welding and Joining
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    • 제26권6호
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    • pp.74-80
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    • 2008
  • A finite element modeling approach has been described for the simulation and analysis of the micron-scaled solid particle impact behavior in kinetic spraying process, using an explicit code (ABAQUS 6.7-2). High-strain-rate plastic deformation and interface bonding features of the copper, nickel, aluminum, and titanium were investigated via FEM in conjunction with the Johnson-Cook plasticity model. Different aspects of adiabatic shear instabilities of the materials were characterized as a concept of thermal boost-up zone (TBZ), and also discussed based upon energy balance concept with respect to relative recovery energy (RRE) for the purpose of optimizing the bonding process.

Energy Sustainability of an Integrative Kinetic Light Shelf Unit

  • Han, Seung-Hoon
    • KIEAE Journal
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    • 제15권3호
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    • pp.15-20
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    • 2015
  • Purpose: Suggesting a working prototype of a kinetic light shelf unit and revealing its energy efficiency by a series of building performance simulations were presented. Recently, kinetic building envelope has been an emerging technology as an innovative way to control exterior building environment, but products from many researches about the facade could not been reached to the industrialization so far. That is because its initial installation, operation and maintenance costs are still too high to use for the practical field, although buildings using kinetic envelopes could decrease their energy consumption significantly. This narrow point of view needs to be reconsidered, since buildings require great amount of energies to run their functions through the whole life and using better building components can lead to achieve much more benefits in aspects of the lifecycle cost (LCC). Method: A series of certified simulation tools like Ecotect and Green Building Studio that are normally used for researches and developments in the field of architecture were utilized. Result: Based on simulation analyses, the result of the study has showed that the proposed system definitely has adaptability to the professions and positively shows practicability as advanced integrative building envelopes with renewable energy association.

다중 길이척도 난류운동에너지 생성율 모형을 이용한 가솔린 기관의 성능 시뮬레이션 (Performance Simulation of a Gasoline Engine Using Multi-Length-Scale Production Rate Model)

  • 이홍국;최영돈
    • 한국자동차공학회논문집
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    • 제7권7호
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    • pp.1-14
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    • 1999
  • In the present study, the flame factor which primarily influence the simulation accuracy of the combustion process in a gasoline engine was modeled as a nonlinear function of turbulent intensity to laminar flame speed ratio. Multi-length-scale production rate model for turbulent kinetic energy equation was introduced to consider the different length scales of the swirling and tumbling motions in cylinder on the production rte of turbulent kinetic energy. By7 introducing the multi-length-scale production rate model for the turbulent kinetic energy equation, the predictions of turbulent burning velocity , cylinder pressure, mass burning rate and engine performance of a gasoline engine can much be improved.

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연속 회분식 반응조에서 생물학적 영양염류 제거에 대한 모델링 및 동적 시뮬레이션(I) (Modeling and Dynamic Simulation for Biological Nutrient Removal in a Sequencing Batch Reactor(I))

  • 김동한;정태학
    • 상하수도학회지
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    • 제13권3호
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    • pp.42-55
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    • 1999
  • A mathematical model for biological nutrient removal in a sequencing batch reactor process, which is based on the IAWQ Activated Sludge Model No. 2 with a few modifications, has been developed. Twenty water quality components and twenty three kinetic equations are incorporated in the model. The model is structured in the matrix form based on the law of mass conservation using stoichiometry and kinetic equations. Stoichiometric coefficients and kinetic parameters included in the model equations are chosen from the literature. A multistep predictor-corrector algorithm of variable step-size is adopted for solving the vector nonlinear ordinary differential equations. The simulation for experimental results is conducted to evaluate the validity of the model and to calibrate coefficients and parameters. The simulation using the model well represents the experimental results from laboratory. The mathematical model developed in this study may be utilized for the design and operation of a sequencing batch reactor process under the steady and unsteady-state at various environmental conditions.

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2차원 동역학 시뮬레이션을 활용한 부분적으로 자화된 용량성 결합 플라즈마 전산 모사 (2D Kinetic Simulation of Partially Magnetized Capacitively Coupled Plasma Sources)

  • 손성현;박준범;정경재
    • 반도체디스플레이기술학회지
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    • 제22권1호
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    • pp.118-123
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    • 2023
  • Partially magnetized capacitively coupled plasma (CCP) sources are investigated using a two-dimensional kinetic simulation code named EDIPIC-2D. A converging numerical solution was obtained for CCP with a 60 MHz power source, while properly capturing the dynamics of electrons and power absorption over a single RF period. The effects of magnetic fields with different orientations were evaluated. Axial magnetic fields caused changes in the spatial distribution of plasma density, affecting the loss channel. Transverse magnetic fields enhanced stochastic heating near the powered electrode, leading to an increase in plasma density while the significant E×B drift loss compensated for this rise.

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구리가 함침된 하이드로탈사이트 촉매의 고유 키네틱 데이터를 이용한 메탄올 수증기 개질반응의 고정층 반응기 CFD 시뮬레이션 (FBR CFD Simulation of Steam Methanol Reforming Reaction using Intrinsic Kinetic Data of Copper-impregnated Hydrotalcite Catalyst)

  • 이재혁;신동일;안호근
    • 한국가스학회지
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    • 제27권1호
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    • pp.78-85
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    • 2023
  • 구리가 함침된 하이드로탈사이트 촉매의 고유 키네틱 데이터를 이용하여 메탄올 수증기 개질 반응의 고정층 반응기 Computational Fluid Dynamics(CFD) 시뮬레이션을 수행하였다. 이전 연구결과로부터 얻어진 20wt%의 구리가 함침된 하이드로탈사이트 촉매의 활성화 에너지는 97.4 kJ/mol, 전 지수 인자는 5.904 × 1010를 이용하였다. 그리고 고유의 키네틱 데이터를 사용하여 반응온도 (200-450 ℃) 및 메탄올과 물의 몰비 변화에 따른 전환율을 관찰하였다. 또한 위의 키네틱 상수를 power law 모델을 사용하여 Axial 2D Symmetry 시뮬레이션을 통해 상용반응기(I.D. 0.05 - 0.1 m, Length 1 m)의 열 및 물질유동해석을 예측하였다.