• Title/Summary/Keyword: Elementary reaction

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Property Control in a Continuous MMA Polymerization Reactor using EKF based Nonlinear Model Predictive Controller

  • Ahn, Sung-Mo;Park, Myung-June;Rhee, Hyun-Ku
    • 제어로봇시스템학회:학술대회논문집
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    • 1998.10a
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    • pp.468-473
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    • 1998
  • A mathematical model was developed for a continuous re-actor in which free radical polymerization of methyl methacrylate (MMA) occurred. Elementary reactions considered in this study were initiation, propagation, termination, and chain transfers to monomer and solvent. The reactor model took into account the density change of the reactor contents and the gel effect. A control system was designed for a continuous reactor using extended Kalman filter (EKF) based non-linear model predictive controller (NLMPC) to control the conversion and the weight average molecular weight of the polymer product. Control input variables were the jacket inlet temperature and the feed flow rate. For the purpose of validation of the control strategy, on-line digital control experiments were conducted with densitometer and viscometer for the measurement of the polymer properties. Despite the com-plex and nonlinear features of the polymerization reaction system, the EKF based NLMPC performed quite satisfactorily for the property control of the continuous polymerization reactor.

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Numerical Modeling for Auto-Ignition and Combustion Processes of Dimethyl Ether (DME) Fuel Sprays (DME 연료의 점화 및 연소특성 해석)

  • Lee, J.W.;Ryu, L.S.;Kim, Y.M.
    • Journal of ILASS-Korea
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    • v.10 no.4
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    • pp.16-25
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    • 2005
  • The present study is mainly motivated to investigate the vaporization, auto-ignition and combustion processes in high-pressure engine conditions. In order to realistically simulate the dimethyl ether (DME) spray dynamics and vaporization characteristics in high-pressure and high-temperature environment, the high-pressure vaporization model is utilized. The interaction between chemistry and turbulence is treated by employing the Representative Interaction Flamelet(RIF) model. The detailed chemistry of 336 elementary steps and 78 chemical species is used for the DME/air reaction. Numerical results indicate that the RIF approach, together with the high-pressure vaporization model, successfully predicts the essential feature of ignition and spray combustion processes.

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Adsorption of Uranium (VI) Ion on 1-Aza-12-Crown-4 Synthetic Resin with Styrene Hazardous Material

  • Kim, Joon-Tae
    • Journal of Integrative Natural Science
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    • v.6 no.2
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    • pp.104-110
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    • 2013
  • 1-Aza-12-crown-4 macrocyclic ligand was combined with styrene (2th petroleum in 4th class hazardous materials) divinylbenzene copolymer having 1%, 2%, 3%, and 6% crosslinks by a substitution reaction, in order to synthesize resin. These synthetic resins were confirmed by chlorine content, elementary analysis and IR-spectrum. As the results of the effects of pH, equilibrium arrival time, crosslink of synthetic resin, and dielectric constant of a solvent on uranium ion adsorption for resin adsorbent, the uranium ion showed high adsorption at pH 3 or over and adsorption equilibrium of uranium ion was about 2 hours. In addition, adsorption selectivity for the resin in methanol solvent was the order of uranium ($UO_2{^{2+}}$) > iron ($Fe^{3+}$) > lutetium ($Lu^{3+}$) ions, adsorbability of the uranium ion was in the crosslinks order of 1%, 2%, 3%, and 6% was increased with the lower dielectric constant.

Estimation of Fermentation State and Metabolic Stoichiometry of Kyuywomyces marxianus (Krupwomyces marxianus의 발효상태 및 대사 양론식 추정)

  • 류두현
    • KSBB Journal
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    • v.8 no.3
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    • pp.272-281
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    • 1993
  • State varibles were estimated for fermentations of K. marxianus under various dilution rates and dissolved oxygen concentrations. The number of elementary reaction stoichiometry with fixed coefficients was determined by singular variable decomposition. Stoichiometry with feasible physical meaning was obtained by target factor analysis. States of fermentations were estimated by linear quadratic programming. The process conditions of single cell production to maximize carbon source consumption were suggested.

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Skeletal Chemical Mechanisms for a Diesel Fuel Surrogate by the Directed Relation Graph(DRG) (직접 관계 그래프(DRG)를 이용한 디젤 연료의 상세 화학 반응 기구 축소화)

  • Lee, Young-J.;Huh, Kang-Y.
    • Journal of the Korean Society of Combustion
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    • v.16 no.2
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    • pp.16-22
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    • 2011
  • It is a challenging task to apply large detailed chemical mechanisms of fuel oxidation in simulation of complex combustion phenomena. There exist a few systematic methodologies to reduce detailed chemical mechanisms to smaller sizes involving less computational load. This research work concerns generation of a skeletal chemical mechanism by a directed relation graph with specified accuracy requirement. Two sequential stages for mechanism reduction are followed in a perfectly stirred reactor(PSR) for high temperature chemistry and to consider the autoignition delay time for low and high temperature chemistry. Reduction was performed for the detailed chemical mechanism of n-heptane consisting of 561 species and 2539 elementary reaction steps. Validation results show acceptable agreement for the autoignition delay time and the PSR calculation in wide parametric ranges of pressure, temperature and equivalence ratio.

INFLUENCE OF THE MIXING RATIO OF DOUBLE COMPONENTIAL FUELS ON HCCI COMBUSTION

  • Sato, S.;Kweon, S.P.;Yamashita, D.;Iida, N.
    • International Journal of Automotive Technology
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    • v.7 no.3
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    • pp.251-259
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    • 2006
  • For practical application on the HCCI engine, the solution of subjects, such as control of auto-ignition timing and avoidance of knocking, is indispensable. This study focused on the technique of controlling HCCI combustion appropriately, changing the mixture ratio of two kinds of fuel. Methane and DME/n-Butane were selected as fuels. The influences, which the mixing ratio of two fuels does to ignition timing, ignition temperature, rate of heat release and oxidation reaction process, were investigated by experiment with 4-stroke HCCI engine and numerical calculation with elementary reactions.

Shock-Tube Study of the Oxidation of Acetaldehyde at High Temperature

  • Won, Seok Jae;Ryu, Ji Cheol;Bae, Jun Hyeon;Kim, Yun Do;Gang, Jun Gil
    • Bulletin of the Korean Chemical Society
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    • v.21 no.5
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    • pp.487-492
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    • 2000
  • The combustion characteristics of a mixture of acetaldehyde, oxygen and argon behind a reflected shock wave at temperatures ranging from 1320 to 1897 K at 100 torr were studied. The emission from the OH radical at 306.4 nm and the pressure profile behind the reflected shock were measured to monitor ignition delay time. The ignition delay times were computed from a proposed mechanism of 110 elementary reactions involving 34 species. The simulation and sensitivity analysis confirm that the main channel for oxidation of acetaldehyde at high temperature consists of the Rice-herzfeld mechanism, the decomposition and oxidation of HCO, and the reaction of H with $O_2$.

Surface Catalytic Recombination in Hypersonic Flow: A Review of the Numerical Methods (극초음속 유동에서의 표면 촉매 재결합: 수치해석적 기법 리뷰)

  • Ikhyun Kim;Yosheph Yang
    • Journal of Industrial Technology
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    • v.43 no.1
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    • pp.33-41
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    • 2023
  • This paper provides a general overview of surface catalytic recombination in hypersonic flow. The surface catalytic recombination phenomena is elaborated in terms of its general overview and numerical modeling associated with it. The general overview of the surface catalytic recombination phenomena describes the elementary surface reactions for the surface catalytic and the role of the surface catalytic recombination efficiency in the heat transfer determination. In the numerical modeling, the surface catalytic recombination is described based on the stagnation-point boundary layer analysis, and finite-rate surface reaction modeling. Throughout this overview manuscript, a general understanding of this phenomena is obtained and can be used as foundation for deeper application with the numerical computational fluid dynamics (CFD) flow solver to estimate the surface heat transfer in the hypersonic vehicles.

Study of HubWA Protein Folding Reaction by Measuring the Stability of Folding Intermediate (중간단계의 구조적 안정성을 통한 HubWA 단백질의 접힘(folding) 반응 탐색)

  • Soon-Ho Park
    • Journal of the Korean Chemical Society
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    • v.67 no.2
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    • pp.81-88
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    • 2023
  • The contribution of hydrophobic residues to the protein folding reaction was studied by using HubWA variant proteins with I and L to V mutation. Folding kinetics of all V variant proteins was observed to be satisfied by a three-state on-pathway mechanism, U ⇌ I ⇌ N, where U, I, and N represent unfolded, intermediate, and native state, respectively. Three-state folding reaction was quantitatively analyzed and the free energy of folding of each elementary reactions and overall folding reaction, ΔGoUI, ΔGoIN, and ΔGoUN, were obtained. From the ratio of free energy difference between the variant protein and HubWA, ΔΔGoUI/ΔΔGoUN (ΔΔGoUI = ΔGoUI (variant protein) - ΔGoUI (HubWA) and ΔΔGoUN = ΔGoUN (variant protein) - ΔGoUN(HubWA)), the contribution of hydrophobic residues to HubWA folding was analyzed. The residues which are located in the hydrophobic core between α-helix and β-sheet, I3, I13, L15, I30, L43, I61 and L67, showed ΔΔGoUI/ΔΔGoUN value of ~0.5 when each of these residues was mutated to V, indicating that these residues form relatively solid hydrophobic core in the intermediate state. Residues located at the end of secondary structures and loop, I23, L69 and I36 showed ΔΔGoUI/ΔΔGoUN value below 0.4 when each of these residues was mutated to V, indicating that the region containing these residues are loosely formed in the intermediate state. V17A, L50V and L56V showed fairly high ΔΔGoUI/ΔΔGoUN value of ~0.8. Since L50 and L56 are located in the region containing long loop (residue 46 to 62), it is suggested that the high ΔΔGoUI/ΔΔGoUN value of these residues prevents the formation of aggregate at the early stage of folding reaction.

Development of an Obesity Management Program for Elementary School Children - Based on Keller's Motivation Theory - (초등학생 비만관리프로그램 개발을 위한 예비연구 - Keller의 동기이론을 중심으로 -)

  • Kim, Min-Jeong;Kim, Hee-Soon;Kim, Sun-Ah;Kim, Duk-Hee
    • Child Health Nursing Research
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    • v.13 no.3
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    • pp.257-264
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    • 2007
  • Purpose: The purpose of this study was to develop an effective obesity management program for elementary school children, based on the motivation theory. Method: This study was a methodological study. A child obesity management program, based on the motivation theory was developed, a web site was made and children with obesity participated in the internet program. After the children finished the program, they evaluated the clinical validity of the program. The clinical validity was tested from Jun 12 to 16, 2006. The participants were 6 students. The evaluation tool was Keller's IMMS(Instructional Material Motivation Survey). Data were evaluated using $means{\pm}SD$ for four major components A,R,C,S (Attention, Relevance, Confidence, Satisfaction), based on ARCS in the motivation theory. Results: The program developed in this study was named 'ARCS children obesity escape', and the URL is 'http://www.119kid.co.kr'. Regarding the four components of ARCS, the overall reaction of participants showed that they were very highly motivated by this program. Conclusion: Utilizing the ARCS motivation strategies for solving obesity problems for children is an effective method to motivate the management of obesity, and can increase achievement motivation, attention, relevance, confidence, and satisfaction with the management of obesity. Thus, the program developed in this study is expected to reduce obesity in children, and become an important guide for obesity management and health improvement for children.

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