• Title/Summary/Keyword: kinetic modeling and simulation

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Quantitative Analysis of Biological Models under the Internet Environment (인터넷 환경을 통한 생물학적 모델의 정량적 분석)

  • Yun, Choa-Mun;Lee, Dong-Yup;Cho, A-Youn;Lee, Sang-Yup;Park, Sun-Won
    • Journal of Institute of Control, Robotics and Systems
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    • v.11 no.10
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    • pp.837-842
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    • 2005
  • The computational modeling and simulation of complex biological systems are indispensable for new knowledge extraction from huge experimental data and ever growing vast amount of information in systems biology. Moreover, gathering and sharing of the existing information and newly-generated knowledge can speed up this research process. In this regard, several modeling projects have been undertaken for quantitatively analyzing the biological systems via the internet. They include Virtual Cell, JWS and OBIYagns. We also develop an integrated web-based environment, which facilitate investigation of dynamic behavior of cellular systems.

Modeling and simulation of a batch reactor for bulk copolymerization of styrene and acrylonitirle (Styren과 acrylonitrile의 과상 공중합을 위한 회분식 반응기의 모델링 및 모사)

  • 유기윤;황우현;백종은;이현구
    • 제어로봇시스템학회:학술대회논문집
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    • 1994.10a
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    • pp.207-212
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    • 1994
  • A mathematical model is developed for a batch reactor in which the free radical bulk copolymerization of styrene and acrylonitrile takes place. In this model, we introduce the free volume theory to quantify the diffusion controlled termination and propagation reactions, and develop a model for the chain length dependent termination reaction in the context of the pseudo kinetic rate constant method(PKRCM). The simulation results from this model are found to be in good agreement with experimental data under different copolymerization conditions. The present model can predict both the copolymer composition and the number and weight average molecular weights. These kinetic approaches provide greater insight into the performance of the batch reactor used for the free radical bulk copolymerization of styrene and acrylonitirle.

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Kinetic Monte Carlo Simulations for Defects Diffusion in Ion-implanted Crystalline

  • Jihyun Seo;Hwang, Ok-Chi;Ohseob Kwon;Kim, Kidong;Taeyoung Won
    • Proceedings of the IEEK Conference
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    • 2003.07b
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    • pp.731-734
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    • 2003
  • An atomistic process modeling, Kinetic Monte Carlo simulation, has the advantage of being both conceptually simple and extremely powerful. Instead of diffusion equations, it is based on the definitions of the interactions between individual atoms and defects. Those interactions can be derived either directly from molecular dynamics, first principles calculations, or from experiment. In this paper, as a simple illustration of the kinetic Monte Carlo we simulate defects (self-interstitials and vacancies) diffusion after ion implantation in Si crystalline.

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Analysis of Flame Generated Turbulence for a Turbulent Premixed Flame with Zone Conditional Averaging (영역분할조건평균법을 이용한 난류예혼합화염내 난류운동에너지 생성에 관한 연구)

  • Im, Yong Hoon;Huh, Kang Yul
    • Journal of the Korean Society of Combustion
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    • v.8 no.4
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    • pp.15-23
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    • 2003
  • The zone conditional two-fluid equations are derived and validated against DNS database of a premixed turbulent flame. The conditional statistics of major flow variables are investigated to understand the mechanism of flame generated turbulence. The flow field in burned zone shows substantially increased turbulent kinetic energy, which is highly anisotropic due to reaction kinematics across thin f1amelets. The transverse component may be larger than the axial component for a distributed pdf of the flamelet orientation angle, while the opposite occurs due to redistribution of turbulent kinetic energy and flamelet orientation normal to the flow at the end of a flame brush. The major source or sink terms of turbulent kinetic energy are the interfacial transfer by the mean reaction rate and the work terms by fluctuating pressure and velocity on a flame surface. Ad hoc modeling of some interfacial terms may be required for further application of the two-fluid model in turbulent combustion simulations.

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Kinematic and Kinetic Analysis of the Soft Golf Swing using Realistic 3D Modeling Based on 3D Motion Tracking

  • Kim, Yong-Yook;Kim, Sung-Hyun;Kim, Nam-Gyun
    • Journal of Biomedical Engineering Research
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    • v.28 no.6
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    • pp.744-749
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    • 2007
  • Kinematic and kinetic analysis has been performed for Soft Golf swings utilizing realistic three dimensional computer simulations based on three dimensional motion tracking data. Soft Golf is a newly developed recreational sport in South Korea aimed to become a safe and easy-to-learn sport for all ages. The advantage of Soft Golf stems from lighter weight of the club and much larger area of the sweet spot. This paper tries to look into kinematic and kinetic aspects of soft golf swings compared to regular golf swing and find the advantages of lighter Soft Golf clubs. For this purpose, swing motions of older aged participants were captured and kinematic analysis was performed for various kinematic parameters such as club head velocity, joint angular velocity, and joint range of motions as a pilot study. Kinetic analysis was performed by applying kinematic data to computer simulation models constructed from anthropometric database and the measurements from the participants. The simulations were solved using multi-body dynamics solver. Firstly, the kinematic parameters such as joint angles were obtained by solving inverse dynamics problem based on motion tracking data. Secondly, the kinetic parameters such as joint torques were obtained by solving control dynamics problem of making joint torque to follow pre-defined joint angle data. The results showed that mechanical loadings to major joints were reduced with lighter Soft Golf club.

SIMULATION OF KNOCK WITH DIFFERENT PISTON SHAPES IN A HEAVY-DUTY LPG ENGINE

  • CHOI H.;LIM J.;MIN K.;LEE D.
    • International Journal of Automotive Technology
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    • v.6 no.2
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    • pp.133-139
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    • 2005
  • In this study, a three-dimensional transient simulation with a knock model was performed to predict knock occurrence and autoignition site in a heavy-duty LPG engine. A FAE (Flame Area Evolutoin) premixed combustion model was applied to simulate flame propagation. The coefficient of the reduced kinetic model was adjusted to LPG fuel and used to simulate autoignition in the unburned gas region. Engine experiments using a single-cylinder research engine were performed to calibrate the reduced kinetic model and to verify the results of the modeling. A pressure transducer and a head-gasket type ion-probe circuit board were installed in order to detect knock occurrences, flame arrival angles, and autoignition sites. Knock occurrence and position were compared for different piston bowl shapes. The simulation concurred with engine experimental data regarding the cylinder pressure, flame arrival angle, knock occurrence, and autoignition site. Furthermore, it provided much information about in-cylinder phenomena and solutions that might help reducing the knocking tendency. The knock simulation model presented in this paper can be used for a development tool of engine design.

Insights from an OKMC simulation of dose rate effects on the irradiated microstructure of RPV model alloys

  • Jianyang Li;Chonghong Zhang;Ignacio Martin-Bragado;Yitao Yang;Tieshan Wang
    • Nuclear Engineering and Technology
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    • v.55 no.3
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    • pp.958-967
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    • 2023
  • This work studies the defect features in a dilute FeMnNi alloy by an Object Kinetic Monte Carlo (OKMC) model based on the "grey-alloy" method. The dose rate effect is studied at 573 K in a wide range of dose rates from 10-8 to 10-4 displacement per atom (dpa)/s and demonstrates that the density of defect clusters rises while the average size of defect clusters decreases with increasing dose rate. However, the dose-rate effect decreases with increasing irradiation dose. The model considered two realistic mechanisms for producing <100>-type self-interstitial atom (SIA) loops and gave reasonable production ratios compared with experimental results. Our simulation shows that the proportion of <100>-type SIA loops could change obviously with the dose rate, influencing hardening prediction for various dose rates irradiation. We also investigated ways to compensate for the dose rate effect. The simulation results verified that about a 100 K temperature shift at a high dose rate of 1×10-4 dpa/s could produce similar irradiation microstructures to a lower dose rate of 1×10-7 dpa/s irradiation, including matrix defects and deduced solute migration events. The work brings new insight into the OKMC modeling and the dose rate effect of the Fe-based alloys.

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.

Development of Modeling Technique for Prediction of Driving Force and Kinetic Resistance of Agricultural Forklift (농업용 포크리프트의 구동력 및 운동저항 예측을 위한 모델링 기법 개발)

  • Jo, Jae-hyun;Kim, Jun-tae;Jeong, Jin-hyoung;Chang, Young-yoon;Park, Won-yeop;Lee, Sang-sik
    • The Journal of Korea Institute of Information, Electronics, and Communication Technology
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    • v.12 no.3
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    • pp.299-305
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    • 2019
  • This study was initiated to solve the difficulties of aged and female workers in agriculture society due to aging and demise of young people. In the case of the conventional elevated lift, the risk of exposure to uneven road or work environment, not the difficulty of professional qualification and operation, and the risk of exposure to the uneven road or working environment, were also studied based on previous researches so that women could easily and efficiently perform productive agriculture. First, the simulation was carried out through the prediction model of traction performance using the object of agricultural forklift, and the soil of the Kimhae city in Gyeongnam (34.125kPa, internal friction angle 35.294deg, external friction angle 13.620deg, Adhesion force 5.750 kPa, average cone index 0-15 cm cl, 1001.8 kPa). In the case of the forklift for simulation, the driving force and the kinetic resistance prediction modeling of the agricultural electric forklift are modeled. Based on this model, the motor control drive adopts the 1232E model, which is a drive dedicated to AC motor, and divides the two drivers into master and slave And the model for the simulation was designed to control motor drive, hydraulic drive, and various outputs on the main PCB. The simulation model is undergoing continuous simulation, modification and supplementation. Based on this research, we will continue research for development of safer and more efficient agricultural electric forklift.

Estimation of Safety Area for Intercept Debris by Using Modeling and Simulation (탄도탄 요격시험 안전구역 산출을 위한 모델링 및 시뮬레이션)

  • Lee, Sungkyun;Go, Jinyong;Han, Yongsu;Kim, Changhwan
    • Journal of the Korea Society for Simulation
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    • v.29 no.1
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    • pp.1-9
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    • 2020
  • The ballistic missile threat continues to increase with the proliferation of missile technology. In response to this threat, many kinds of interceptors have been emphasized over the years. For development of interceptor, systematic flight tests are essential. Flight tests provide valuable data that can be used to verify performance and confirm the technological progress of ballistic missile defense system including interceptor. However, during flight tests, civilians near the test region could be risk due to a lot of intercept debris. For this reason, reliable estimate of safety area for the flight tests should be preceded. In this study, prediction of safety area is performed through modeling and simulation. Firstly, behaviors of ballistic missile and interceptor are simulated for those entire phase including interception to obtain the relative intercept velocity and the relative impact angle. By using obtained data of kinetic energy, the fragment ejection velocity is calculated and fragment trajectories are simulated by considering drag, gravity and wind effects. Based on the debris field formation and hazard evaluation of debris, final safety area is calculated.