• 제목/요약/키워드: Reaction model

검색결과 2,854건 처리시간 0.027초

Ultrafast Excited State Intramolecular Proton Transfer Dynamics of 1-Hydroxyanthraquinone in Solution

  • Ryu, Jaehyun;Kim, Hyun Woo;Kim, Myung Soo;Joo, Taiha
    • Bulletin of the Korean Chemical Society
    • /
    • 제34권2호
    • /
    • pp.465-469
    • /
    • 2013
  • Proton transfer reaction is one of the most fundamental processes in chemistry and life science. Excited state intramolecular proton transfer (ESIPT) has been studied as a model system of the proton transfer, since it can be conveniently initiated by light. We report ESIPT reaction dynamic of 1-hydroxy-anthraquione (1-HAQ) in solution by highly time-resolved fluorescence. ESIPT time of 1-HAQ is determined to be $45{\pm}10$ fs directly from decay of the reactant fluorescence and rise of the product fluorescence. High time resolution allows observation of the coherent vibrational wave packet motion in the excited state of the reaction product tautomer. The coherently excited vibrational mode involves large displacement of the atoms, which shortens the distance between the proton donor and the acceptor. With the theoretical analysis, we propose that the ESIPT of 1-HAQ proceeds barrierlessly with assistance of the skeletal vibration, which in turn becomes excited coherently by the ESIPT reaction.

충남지역에서 기상요소가 벼의 수량과 수량구성요소에 미치는 영향 (Meteorological Response against Yield and Yield Component of Rice in Chungnam and Daejeon Area)

  • 안종범;조진웅
    • 농업과학연구
    • /
    • 제37권2호
    • /
    • pp.177-189
    • /
    • 2010
  • These studies were conducted to analysis for weather reaction on the growth and yield component according to meterological elements used Vector Autoregressive Regression(VAR) Model at Daejeon, Hongseong, Geumsan, Nonsan, and Yesan to core of center to Chungnam area in Rice. Reaction of cultivars according to change of meterological elements for growth and yield component effected on heading time in Gancheokbyeo and Mananbyeo, grain number of a spike in Gancheokbyeo, ratio of ripeness in Gancheokbyeo and Geumobyeo 1, amount of milled rice in Geurubyeo and Ansanbyeo, and 1,000 grains weight in Gancheokbyeo, Dasanbyeo, and Hwajinbyeo. An effect on the growth and yield components of meterological elements were influenced by heading date, 1,000 grain weight and ratio of repening as sunshine hours. The cultivars in sensitive reaction for change of weather condition were classified to 14 varieties including Gerubyeo et al., insensitive cultivars were classified to 66 varieties including Gyehwabyeo et. al.

백금 촉매를 이용한 수소버너의 모델 실험 (Model Experiment of Hydrogen Burner Utilizing Platinum Catalyst)

  • 안영석;김진원;김태영;김포천;오병수;류민웅
    • 한국수소및신에너지학회논문집
    • /
    • 제14권2호
    • /
    • pp.177-186
    • /
    • 2003
  • Today, human beings are faced with crisis of environmental pollution and fuel exhaustion because energy consumption has increased rapidly as a rise in population, therefore human beings are in need of hydrogen energy as a substitute energy. Hydrogen has the advantages of cleanness and boundlessness, but it has difficulties of storage and safety. Making a nameless hydrogen burner for household in consideration of hydrogen's peculiarity was tried. This hydrogen burner utilized the heat of reaction that was emitted when water was formed by reaction of hydrogen and oxygen, It was tried to impregnate Pt catalyst in ceramic fiber(substrate) for the reaction of hydrogen and oxygen to be reacted more easily. This experiment was inquired that hydrogen is appropriate for being used as burner fuel in home and found out whether its safe usefulness is possible or not.

천연가스 개질기 설계 (A Design for Natural Gas Reforming Reactor)

  • 이택홍;최운선
    • 한국수소및신에너지학회논문집
    • /
    • 제23권5호
    • /
    • pp.545-550
    • /
    • 2012
  • This work is for the design study of natural gas reformer (40 $m^3/hr$ over). We used experimental kinetic data from literature. After that, we set up theoretical model based on experimental reaction kinetic data. The shape of reactor is 1.7 m long and 200 mm dia. with cylinder geometry. Volume of reactor is 53.4 liter. Average flow velocity of gases in the reactor has been determined 0.272 m/sec and residence time is 9.26 sec. Reaction temperature is $850^{\circ}C$, with pressure 9.3 Bar. Used natural gas volume is about 9.21 $m^3/hr$. Produced hydrogen is 43.7 $m^3/hr$ with no change of pressure. Unreacted natural gas is 0.09 $m^3/hr$ and the amount of steam is 26.9 $m^3/hr$. Steam to $CH_4$ (s/c ratio) is 2.91. Reforming reaction take place from the reactor entrance to 120 cm region of cylinder type reactor. After the entrance of reacting gases to 120 cm region, the reaction reaches equilibrium which is close to products. This study can be applicable to design various reactors. Output data is in good agreements with the data in literatures1).

A Review of Ac-impedance Models for the Analysis of the Oxygen Reduction Reaction on the Porous Cathode Electrode for Solid Oxide Fuel Cell

  • Kim, Ju-Sik;Pyun, Su-Il
    • 전기화학회지
    • /
    • 제8권2호
    • /
    • pp.106-114
    • /
    • 2005
  • This article covers the theoretical ac-impedance models for the analysis of oxygen reduction on the porous cathode electrode f3r solid oxide fuel cell (SOFC). Firstly, ac-impedance models were explained on the basis of the mechanism of oxygen reduction, which were classified into the rate-determining steps; (i) adsorption of oxygen atom on the electrode surface, (ii) diffusion of adsorbed oxygen atom along the electrode surface towards the three-phase (electrode/electrolyte/gas) boundaries, (iii) surface diffusion of adsorbed oxygen atom m ixed with the adsorption reaction of oxygen atom on the electrode surface and (iv) diffusion of oxygen vacancy through the electrode coupled with the charge transfer reaction at the electrode/gas interface. In each section for ac-impedance model, the representative impedance plots and the interpretation of important parameters attributed to the oxygen reduction reaction were explained. Finally, we discussed in detail the applications of the proposed theoretical ac-impedance models to the real electrode of SOFC system.

원격해체 작업을 위한 유압 시스템의 SPO 기반 반력 추정 및 힘 반향 양방향 원격제어 (SPO based Reaction Force Estimation and Force Reflection Bilateral Control of Cylinder for Tele-Dismantling)

  • 차금강;윤성민;이민철
    • 로봇학회논문지
    • /
    • 제12권1호
    • /
    • pp.1-10
    • /
    • 2017
  • For dismantling heavy structure under special environment in radioactivity, there are many problems which should be tele-operated and feedback a cutting force for cutting a thick structure such as concrete. When operator dismantles a thick heavy concrete structure, it is in sufficient to judge whether robot is contacting or not with environment by using only vision information. To overcome this problem, force feedback and impedance model based bilateral control are introduced. The sliding mode control with sliding perturbation observer (SMCSPO) based bilateral control is applied and surveyed to a single rod hydraulic cylinder in this paper. The sliding mode control is used for robustness against a disturbance. The sliding perturbation observer is used for estimation of a reaction force such as cutting force. The bilateral control is executed using the information of reaction force estimated by SMCSPO. The contribution of this paper is that the estimation method and bilateral control of the single rod hydraulic cylinder are introduced and discussed by experiment.

Correlation between rare earth elements in the chemical interactions of HT9 cladding

  • Lee, Eun Byul;Lee, Byoung Oon;Shim, Woo-Yong;Kim, Jun Hwan
    • Nuclear Engineering and Technology
    • /
    • 제50권6호
    • /
    • pp.915-922
    • /
    • 2018
  • Metallic fuel has been considered for sodium-cooled fast reactors because it can maximize the uranium resources. It generates rare earth elements as fission products, where it is reported by aggravating the fuel-cladding chemical interaction at the operating temperature. Rare earth elements form a multicomponent alloy (Ce-Nd-Pr-La-Sm-etc.) during reactor operation, where it shows a higher reaction thickness than a single element. Experiments have been carried out by simplifying multicomponent alloys for mono or binary systems because complex alloys have difficulty in the analysis. In previous experiments, xCe-yNd was fabricated with two elements, Ce and Nd, which have a major effect on the fuel-cladding chemical interaction, and the thickness of the reaction layer reached maximum when the rare earth elements ratio was 1:1. The objective of this study is to evaluate the effect and relationship of rare earth elements on such synergistic behavior. Single and binary rare earth model alloys were prepared by selecting five rare earth elements (Ce, Nd, Pr, La, and Sm). In the single system, Nd and Pr behaviors were close to diffusion, and Ce showed a eutectic reaction. In the binary system, Ce and Sm further increased the reaction layer, and La showed a non-synergy effect.

폐굴껍질을 흡착제로 한 불소폐수 처리특성에 관한 연구 (Studies on the Adsarption Characteristics of Fluoride Ion-Containing Wastewater by Employing Waste Oyster Shell as an Adsorbent)

  • 이진숙;김동수
    • 한국물환경학회지
    • /
    • 제23권2호
    • /
    • pp.222-227
    • /
    • 2007
  • The adsorption features of fluoride ion on the oyster shell have been investigated for the purpose of the employment of waste oyster shell as an adsorbent for the treatment of fluoride ion-containing wastewater. The major component of oyster shell was examined to be Ca with minor components of Na, Si, Mg, Al, and Fe. As the initial concentration of fluoride ion was raised, its absorbed amount was enhanced at equilibrium, however, the adsorption ratio of fluoride ion compared with its initial concentration was shown to be decreased. Also, adsorption of fluoride ion onto the oyster shell resulted in the formation of $CaF_2$ in the morphological structure of adsorbent. Kinetic analysis showed that the adsorption reaction of fluoride ion generally followed a second order reaction with decreasing rate constant with the initial concentration of adsorbate. Freundlich model agreed well with the adsorption behavior of fluoride ion at equilibrium and the adsorption reaction of fluoride ion was examined to be endothermic. Several thermodynamic parameters for the adsorption reaction were calculated based on thermodynamic equations and the activation energy for the adsorption of fluoride ion onto oyster shell was estimated to be ca. 13.589 kJ/mole.

반응표면 분석법을 이용한 마늘 열풍건조 공정의 최적화 (Development of Optimum Processing Conditions in Air Dried Garlics Using Response Surface Methodology)

  • 김명환;김병용
    • 한국식품영양과학회지
    • /
    • 제19권3호
    • /
    • pp.234-238
    • /
    • 1990
  • The effects of salt concentration immersion time in a salt solution prior to air dehydration and heating of air temperature during dehydration upon the browning reaction and pyruvic acid content of air dried garlics to a 6.5% moisture content(wet basis) were analyzed by a response surface methodology(RSM), Those values were also predicted by using a second degree polynomial regression model. Heating of air temperature was the most significant factor affecting the both browning reaction and pyruvic acid content. Salt concentration had more influence to browning reaction than immersion time whereas immersion time was more impor-tant factor than salt concentration on a retention of pyruvic acid sugested different processing conditions. While the processing conditions to minimize the browning reaction(O.D=0.009) were 0.3% of salt solution 9 min of immersion time and 5$0^{\circ}C$ of air temperature compared to control(O.D=0.022) of air dehydration at 5$0^{\circ}C$ Pyruvic acid contents were maximized(174 $\mu$mole/g garlic solid) at the 0.1% of salt solution 3 min of immersion time and 5$0^{\circ}C$ of air temperature compared to control(147 $\mu$mole/g garlic solid) of air dehydration at 5$0^{\circ}C$

  • PDF

Synthesis and Characterization of Poly(arylene ether)s Containing Benzoxazole Pendants from Novel Aromatic Difluoride Monomer

  • 김지형;방상우;김영준
    • Bulletin of the Korean Chemical Society
    • /
    • 제21권9호
    • /
    • pp.896-900
    • /
    • 2000
  • A study was done on the synthesis of new poly(arylene ether)s and poly(arylenesulfide) with rigid benzoxazole pendants using nucleophilic aromatic substitution reaction. As a new aromatic monomer, 1,4-bis(2-benzox-azolyl)-2,5-difluorobenzene [I] w as synthesized in three steps starting from 1,4-dibromo-2,5-difluorobenzene. A model reaction of difluoro monomer [I] with two equivalents of m-cresol or thiophenol in a typical ether con-densation reaction conditions gave very high yields ( > 93%) of the desired disubstituted product, suggesting the feasibility of polymer formation in these reaction system. Monomer[I] was polymerized with bisphenols and bisbenzenethiol in NMP using K2CO3 as base. The molecular weight of the resulting polymers, however,seemed relatively low according to their solution viscosity values ( ηinh = 0.15-0.29 dL/g). The poly(arylene ether)s were soluble in several common organic solvents including chloroform, pyridine and N,N'-dimethylfor-mamide. The poly(arylene sulfide) was, however, ony soluble in strong acids like sulfuric acid and trifluoro-acetic acid. The glass transition temperatures were found to be 175-215 $^{\circ}C.$ These polymers were stable up to 380-420 $^{\circ}C$ in both nitrogen and air, as determined by the temperature that a significant weight loss began to appear on TGA.