• Title/Summary/Keyword: Reaction Dynamics

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Fundamental evaluation of hydrogen behavior in sodium for sodium-water reaction detection of sodium-cooled fast reactor

  • Tomohiko Yamamoto;Atsushi Kato;Masato Hayakawa;Kazuhito Shimoyama;Kuniaki Ara;Nozomu Hatakeyama;Kanau Yamauchi;Yuhei Eda;Masahiro Yui
    • Nuclear Engineering and Technology
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    • v.56 no.3
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    • pp.893-899
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    • 2024
  • In a secondary cooling system of a sodium-cooled fast reactor (SFR), rapid detection of hydrogen due to sodium-water reaction (SWR) caused by water leakage from a heat exchanger tube of a steam generator (SG) is important in terms of safety and property protection of the SFR. For hydrogen detection, the hydrogen detectors using atomic transmission phenomenon of hydrogen within Ni-membrane were used in Japanese proto-type SFR "Monju". However, during the plant operation, detection signals of water leakage were observed even in the situation without SWR concerning temperature up and down in the cooling system. For this reason, the study of a new hydrogen detector has been carried out to improve stability, accuracy and reliability. In this research, the authors focus on the difference in composition of hydrogen and the difference between the background hydrogen under normal plant operation and the one generated by SWR and theoretically estimate the hydrogen behavior in liquid sodium by using ultra-accelerated quantum chemical molecular dynamics (UA-QCMD). Based on the estimation, dissolved H or NaH, rather than molecular hydrogen (H2), is the predominant form of the background hydrogen in liquid sodium in terms of energetical stability. On the other hand, it was found that hydrogen molecules produced by the sodium-water reaction can exist stably as a form of a fine bubble concerning some confinement mechanism such as a NaH layer on their surface. At the same time, we observed experimentally that the fine H2 bubbles exist stably in the liquid sodium, longer than previously expected. This paper describes the comparison between the theoretical estimation and experimental results based on hydrogen form in sodium in the development of the new hydrogen detector in Japan.

Quasiclassical Trajectory Calculations for the Reaction Ne + H2+ → NeH+ + H

  • Wang, Yuliang;Tian, Baoguo;Qu, Liangsheng;Chen, Juna;Li, Hui
    • Bulletin of the Korean Chemical Society
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    • v.32 no.12
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    • pp.4210-4214
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    • 2011
  • Quasiclassical trajectory (QCT) calculations of Ne + ${H_2}^+$ reaction have been carried out on the adiabatic potential energy surface of the ground state $1^2$ A'. The reaction probability of the title reaction for J = 0 has been calculated, and the QCT result is consistent with the previous quantum mechanical wave packet result. Quasiclassical trajectory calculations of the four polarization-dependent differential cross sections have been carried out in the center of mass (CM) frame. The P(${\theta}_r$), P(${\phi}_r$) and P(${\theta}_r$, ${\phi}_r$) distributions, the k-k'-j' correlation and the angular distribution of product rotational vectors are presented in the form of polar plots. Due to the well in $1^2$ A' PES, the reagent vibrational excitation has greater influence on the polarization of the product rotational angular momentum vectors j' than the collision energy.

Nano-particles of Mechanochemical Synthesis

  • Urakaev, Farit Kh.
    • Journal of the Speleological Society of Korea
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    • no.71
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    • pp.5-11
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    • 2006
  • A theoretical investigation of the solid phase mechanochemical synthesis of nano sized target product on the basis of dilution of the initial powdered reagent mixture by another product of an exchange reaction is presented. On the basis of the proposed 3 mode particle size distribution in mechanically activated mixture, optimal molar ratios of the components in mixture are calculated, providing the occurrence of impact friction contacts of reagent particles and excluding aggregation of the nanosized particles of the target reaction product. Derivation of kinetic equations for mechanochemical synthesis of nanoscale particles by the final product dilution method in the systems of exchange reactions is submitted. On the basis of obtained equations the necessary times of mechanical activation for complete course of mechanochemical reactions are designed. Kinetics of solid phase mechanosynthesis of nano TlCl by dilution of initial (2NaCl+$Tl_2SO_4$) mixture with the exchange reaction product (diluent,$zNa_2SO_4$, z=z*=11.25) was studied experimentally. Some peculiar features of the reaction mechanism were found. Parameters of the kinetic curve of nano TlCl obtained experimentally were compared with those for the model reaction KBr+TlCl+zKCl=(z+1) KCl+TlBr (z=z1*=13.5), and for the first time the value of mass transfer coefficient in a mechanochemical reactor with mobile milling balls was evaluated. Dynamics of the size change was followed for nanoparticle reaction product as a function of mechanical activation time.

An Influence of Water Ingestion into Engine Cylinder on the Joint Reaction Force of the Connecting Rod (엔진 실린더 내 물 유입이 커넥팅로드 조인트반력에 미치는 영향)

  • Kim, Hyeong-Hyeon;Yoon, Hi-Seak;Seo, Kwon-Hee;Moon, Young-Deuk
    • Journal of the Korean Society for Precision Engineering
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    • v.16 no.4 s.97
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    • pp.79-84
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    • 1999
  • This paper focus on investigating the influence of the amount of water ingestion and the engine speed on the joint reaction force of the connecting rod in engine. The connecting rod was modelled by MSC/PATRAN, the modal informations of it were obtained by the DMAP module in the MSC/NASTRAN, and the dynamic force history was computed through the flexible multibody dynamic simulation in DADS. To analyze the joint reaction force acting on the connecting rod, the 48 cases were investigated. The engine speed varies with 200, 700, 1600, 2400rpm and the volumetric ratio of water to the combustion chamber varies with 0, 10, 20, ..., 90, 95 and 97.5% . As the engine speed decreases and the amount of water ingestion increases, the joint reaction force increase. Especially when the amount of water ingestion exceeds the 70% of the volume of the combution chamber, the joint reaction force acting on the connecting rod is over the design strength.

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Theory of Nanoparticles Mechanosynthesis

  • Urakaev, Farit Kh.
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.405-406
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    • 2005
  • A theoretical investigation of the solid-phase mechanochemical synthesis of nano-sized target product on the basis of dilution of the initial powdered reagent mixture by another product of an exchange reaction is presented. On the basis of the proposed 3-mode particle size distribution in mechanically activated mixture, optimal molar ratios of the components in mixture are calculated, providing the occurrence of impact-friction contacts of reagent particles and excluding aggregation of the nanosized particles of the target reaction product. Derivation of kinetic equations for mechanochemical synthesis of nanoscale particles by the final product dilution method in the systems of exchange reactions is submitted. On the basis of obtained equations the necessary times of mechanical activation for complete course of mechanochemical reactions are designed. Kinetics of solid phase mechanosynthesis of nano-TlCl by dilution of initial (2NaCl + $Tl_2SO_4$) mixture with the exchange reaction product (diluent, $zNa_2SO_4$, $z=z^*=11.25$) was studied experimentally. Some peculiar features of the reaction mechanism were found. Parameters of the kinetic curve of nano-TlCl obtained experimentally were compared with those for the model reaction KBr + TlCl + zKCl = (z + 1) KCl + TlBr ($z=z_l^*=13.5$), and for the first time the value of mass transfer coefficient in a mechanochemical reactor with mobile milling balls was evaluated. Dynamics of the size change was followed for nanoparticle reaction product as a function of mechanical activation time.

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Numerical Sudy on Bubbling Fluidized Bed Reactor for Fast Pyrolysis of Waste Lignocelluosic Biomass (폐목질계 바이오매스의 급속열분해 기포유동층 반응기에 대한 수치해석적 연구)

  • Lee, Ji Eun;Choi, Hang Seok
    • Journal of Korean Society of Environmental Engineers
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    • v.35 no.10
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    • pp.710-716
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    • 2013
  • New and renewable energy sources have drawn attention because of climate change. Many studies have been carried out in waste-to-energy field. Fast pyrolysis of waste lignocelluosic biomass is one of the waste-to-energy technologies. Bubbling fluidized bed (BFB) reactor is widely used for fast pyrolysis of the biomass. In BFB pyrolyzer, bubble behavior influences on the chemical reaction. Accordingly, in the present study, hydrodynamic characteristics and fast pyrolysis reaction of waste lignocellulosic biomass occurring in a BFB pyrolyzer are scrutinized. The computational fluid dynamics (CFD) simulation of the fast pyrolysis reactor is carried out by using Eulerian-Granular approach. And two-stage semi-global kinetics is applied for modeling the fast pyrolysis reaction of waste lignocellulosic biomass. To summarize, generation and ascendant motion of bubbles in the bed affect particle behavior. Thus biomass particles are well mixed with hot sand and consequent rapid heat transfer occurs from sand to biomass particles. As a result, primary reaction is observed throughout the bed. And reaction rate of tar formation is the highest. Consequently, tar accounts for 66wt.% of the product gas. However, secondary reaction occurs mostly in the freeboard. Therefore, it is considered that bubble behavior and particle motions hardly influences on the secondary reaction.

Numerical Analysis of Steam-methane Reforming Reaction for Hydrogen Generation using Catalytic Combustion (촉매 연소를 열원으로 한 수증기-메탄개질반응 전산유체해석)

  • Lee, Jeongseop;Lee, Kanghoon;Yu, Sangseok;Ahn, Kookyoung;Kang, Sanggyu
    • Transactions of the Korean hydrogen and new energy society
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    • v.24 no.2
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    • pp.113-120
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    • 2013
  • A steam reformer is a chemical reactor to produce high purity hydrogen from fossil fuel. In the steam reformer, since endothermic steam reforming is heated by exothermic combustion of fossil fuel, the heat transfer between two reaction zones dominates conversion of fossil fuel to hydrogen. Steam Reforming is complex chemical reaction, mass and heat transfer due to the exothermic methane/air combustion reaction and the endothermic steam reforming reaction. Typically, a steam reformer employs burner to supply appropriate heat for endothermic steam reforming reaction which reduces system efficiency. In this study, the heat of steam reforming reaction is provided by anode-off gas combustion of stationary fuel cell. This paper presents a optimization of heat transfer effect and average temperature of cross-section using two-dimensional models of a coaxial cylindrical reactor, and analysis three-dimensional models of a coaxial cylindrical steam reformer with chemical reaction. Numerical analysis needs to dominant chemical reaction that are assumed as a Steam Reforming (SR) reaction, a Water-Gas Shift (WGS) reaction, and a Direct Steam Reforming(DSR) reaction. The major parameters of analysis are temperature, fuel conversion and heat flux in the coaxial reactor.

LQR Controller Design for Balancing and Driving Control of a Bicycle Robot (자전거로봇의 균형제어 및 주행제어를 위한 LQR 제어기 설계)

  • Kang, Seok-Won;Park, Kyung-Il;Lee, Jangmyung
    • Journal of Institute of Control, Robotics and Systems
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    • v.20 no.5
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    • pp.551-556
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    • 2014
  • This paper proposes a balancing control and driving control of a bicycle robot based on dynamic modeling of the bicycle robot, which has been derived using the Lagrange equations. For the balancing control of the bicycle robot, a reaction wheel pendulum method has been adopted in this research. By using the dynamics equations of the bicycle robot, an LQR controller has been designed for a balancing and driving control of a bicycle robot. The performance of the balance control is verified experimentally before the driving control, which shows a stable posture within one degree vibrations. To show the dynamic characteristics of the bicycle robot during driving, a trapezoidal velocity trajectory is selected as the references. Through simulations and real experiments, the effectiveness of the proposed algorithm has been demonstrated.

Sleet Jump Simulation of Power Transmission Line by Using Multi-Body Dynamics (다물체 동역학을 이용한 송전선의 슬릿점프 시뮬레이션)

  • Kim, Ji-Wook;Sohn, Jeong-Hyun
    • Journal of the Korean Society of Industry Convergence
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    • v.20 no.5
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    • pp.431-439
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    • 2017
  • Since the power transmission line(PTL) passes through the high mountain and heavy snowfall region, it is necessary to keep the stability of the PTL. In this study, PTL is modeled as a mass-spring-damper system by using RecurDyn. The lumped mass model is verified by calculated from the simulation comparing the deflection analysis according to the sag and tension. In order to analyze the dynamic behavior of PTL, a damping coefficient for a multi-body model is derived by using the free vibration test and Rayleigh damping theory. Sleet jump simulation according to the region is performed. The maximum jump height, icing sag and amount of jump are confirmed. Also, the amount of jump and the reaction force at the supporting point according to the tension and load of ice are analyzed, respectively. As a result, it is noted that the amount of jump and reaction force are influenced more by the load of ice than by the tension of PTL.