• 제목/요약/키워드: reaction probability

검색결과 126건 처리시간 0.021초

Sticking and Desorption of Atomic Hydrogen on the Armchair Edges of Bilayer Graphene

  • Natividad, Michelle;Arboleda Jr., Nelson;Kasai, Hideaki
    • Journal of Electrochemical Science and Technology
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    • 제7권3호
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    • pp.185-189
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    • 2016
  • The coupled channel method via the Local Reflection (LORE) matrix is employed to investigate the quantum mechanical behavior of the sticking or adsorption and desorption of hydrogen (H) atom on bilayer graphene via the armchair edge. The sticking and desorption probabilities of H are calculated and are plotted against the initial translational energy of H. The sticking probability plot shows a barrierless reaction indicating that hydrogen is easily adsorbed on the armchair edge of graphene. The desorption probability plot, however, shows that desorption of H from the graphene sheets is an activated process with a barrier height of 4.19 eV suggesting that a strong bond exists between the adsorbed H atom and the edge carbon atom. Thus, temperatures higher than the operating temperatures (300 - 1500 K) of conventional fuel cells are necessary to release the adsorbed H atom from the armchair edge of graphene.

Modeling on Hydrogen Effects for Surface Segregation of Ge Atoms during Chemical Vapor Deposition of Si on Si/Ge Substrates

  • Yoo, Kee-Youn;Yoon, Hyunsik
    • Korean Chemical Engineering Research
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    • 제55권2호
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    • pp.275-278
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    • 2017
  • Heterogeneous semiconductor composites have been widely used to establish high-performance microelectronic or optoelectronic devices. During a deposition of silicon atoms on silicon/germanium compound surfaces, germanium (Ge) atoms are segregated from the substrate to the surface and are mixed in incoming a silicon layer. To suppress Ge segregation to obtain the interface sharpness between silicon layers and silicon/germanium composite layers, approaches have used silicon hydride gas species. The hydrogen atoms can play a role of inhibitors of silicon/germanium exchange. However, there are few kinetic models to explain the hydrogen effects. We propose using segregation probability which is affected by hydrogen atoms covering substrate surfaces. We derived the model to predict the segregation probability as well as the profile of Ge fraction through layers by using chemical reactions during silicon deposition.

Strategic width-wise arrangement of viscous dampers in steel buildings under strong earthquakes

  • Huang, Xiameng
    • Earthquakes and Structures
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    • 제20권2호
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    • pp.225-238
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    • 2021
  • Supplemental passive dampers are widely employed to improve the structural performance of buildings under seismic excitations. Nevertheless, the added damping could be counter-productive if the axial forces induced by the damper reaction forces are not routed properly in the columns. A few researchers engaged to optimize the width-wise damper arrangement to improve the delivered path of the axial column forces. However, most of these studies are limited under the design-based seismic level and few of them has evaluated the collapse performance of buildings under strong earthquakes. In this paper, the strategic width-wise placement method of viscous dampers is explored regarding the building performance under collapse state. Two realistic steel buildings with different storeys are modelled and compared to explore higher mode effects. Each building is designed with four different damper arrangement scenarios based on a classic damper distribution method. Both a far-fault and a near-fault seismic environment are considered for the buildings. Incremental Dynamic Analysis (IDA) is performed to evaluate the probability of collapse and the plastic mechanism of the retrofitted steel buildings.

A Study on the Synthesis of Organophilic [TEACOOH]-Montmorillonite Intercalations Complex and its Swelling Properties

  • Cho, Sung-Jun
    • Journal of the Korean Ceramic Society
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    • 제39권5호
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    • pp.427-432
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    • 2002
  • In this research an organic cation, [TEACOOH] Br, with a long alkyl chain was synthesized which will replace the metal ion between the layers of Na-Montmorillonite and an organophilic [TEACOOH]-Montmorillonite intercalations complex was formed by the cation exchange reaction between the Na-Montmorillonite and the synthesized [TEACOOH] Br. After drying of this intercalations complex in high vacuum we have tried to experiment on the probability whether it will form complexes with various swelling solutions such as dist. water, methano, ethanol, toluene, acetonitrile and propionitrile and the corresponding basal sp acings measured were $17.41{\AA}$, $31.90{AA}$, $34.42{AA}$, $30.52{AA}$ and $32.36{AA}$, respectively.

A Study on the Spontaneous Ignition Probability of caused the Quicklime (생석회의 자연발화 가능성에 관한 실험적 연구)

  • Choi, I.H.;Park, S.B.;Lee, I.J.;Ha, J.H.;Lee, W.B.;Choi, D.M.
    • Journal of Korean Institute of Fire Investigation
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    • 제11권1호
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    • pp.139-144
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    • 2007
  • The fires were occasionally occurred by the quicklime, used in soil conditioners and stall disinfectant, in the stables and shed especially during the rainy season. Accordingly, we observed that spontaneous ignition by the exothermic reaction was happened through the revival experiments. As a results of revival experiments, we confirmed that fire had been occurred by exothermic energies in the case of heat accumulation.

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RWA Disturbance Effects on the LOS stability (반작용 휠 외란의 시야선 안정성 영향)

  • Lee, Sang-Wook;Kim, Dong-Hoon;Cheon, Dong-Ik;Oh, Hwa-Suk;Kim, Eung-Hyun;Kim, Gyu-Sun
    • Journal of Aerospace System Engineering
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    • 제2권1호
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    • pp.13-16
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    • 2008
  • The line of sight(LOS) is affected by the vibration of spacecraft. It is necessary to predict the effect of disturbance on LOS stability. Reaction wheel assembly is anticipated to be the largest disturbance source on spacecraft. The disturbance which is occurred mainly due to the mass imbalance is analyzed with harmonic numbers. The accuracy and stability are verified by probability density function with dynamic equation of the satellite motion.

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Wavepacket Correlation Function Approach for Nonadiabatic Reactions: Quasi-Jahn-Teller Model

  • Park, Heesoo;Shin, Changkyun;Shin, Seokmin
    • Bulletin of the Korean Chemical Society
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    • 제35권4호
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    • pp.1061-1066
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    • 2014
  • Time-dependent formulations of the reactive scattering theory based on the wavepacket correlation functions with the M${\phi}$ller wavepackets for the electronically nonadiabatic reactions are presented. The calculations of state-to-state reactive probabilities for the quasi-Jahn-Teller scattering model system were performed. The conical intersection (CI) effects are investigated by comparing the results of the two-surface nonadiabatic calculations and the single surface adiabatic approximation. It was found that the results of the two-surface nonadiabatic calculations show interesting features in the reaction probability due to the conical intersection. Single surface adiabatic calculations with extended Born-Oppenheimer approximation using simple wavepacket phase factor was found to be able to reproduce the CI effect semi-quantitatively, while the single surface calculations with the usual adiabatic approximation cannot describe the scattering process for the Jahn-Teller model correctly.

A Study on the Flame Structure and Combustion Charactexistics of a Premixed Flame Stabilized by a Streamline Step( $\Pi$) (유선형 스텝에 의해 안정화된 예혼합화염의 구조와 연소특성에 관한 연구 ($\Pi$))

  • 이재득;최병륜
    • Transactions of the Korean Society of Mechanical Engineers
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    • 제14권6호
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    • pp.1661-1668
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    • 1990
  • In a turbulent premixed flame stabilized by the streamline step, and dominated by a coherent eddy, a flame micro-structure was investigated with analyzing the signals of temperature, the ion current, and schieren phtographs simultaneously. Generally the contours of large scale coherent eddies of schlieren photographs was considered as the flame front, however, the main reaction can be occurred within the eddy as a structure of fine flamelets scale. The surrounding burned gas of flamelets could not propagate to a unburned mixture, obstructing flamelets from propagating to a unburned mixture. Consequently, it could restrain flashback. The main reaction region was found to be located at higher temperature of the burned gas rather than at maximum rms of fluctuating temperature. The peak probability of higher temperature was 6 times greater than that of lower temperature. As it was difficult to infer a flame structure from PDF distribution of the fluctuating temperature in form of bimodal shape, it should be taken into consideration with other informations related to the sensitive flame front, for instance, ion current.

A Study of Hydrocarbon Reduction with Photocatalysts (광촉매를 이용한 탄화수소 저감 연구)

  • 손건석;고성혁;김대중;이귀영
    • Transactions of the Korean Society of Automotive Engineers
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    • 제8권5호
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    • pp.47-53
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    • 2000
  • To overcome the shortage of conventional TWC that is activated at high temperature, higher than 25$0^{\circ}C$, photocatalyst is considered as an new technology. Because the photocatalytic reaction of photocatalyst is not a thermo mechanical reaction, it is necessary to heat the system to start the reaction. It can be activated just by ultra violet light that includes wavelengths shorter than 400 nanometers even at ambient temperature. In this study photocatalytic reduction of hydrocarbon was investigated with a model gas test. To understand the effects of co-existence gases on the hydrocarbon reduction by photoreaction, CO and NO, $O_2, H_2O$ gases those are components of exhaust gases of gasoline engine are supplied with C3H8/N2 to a photoreactor. The photoreactor contains $TiO_2$ photocatalyst powders and a UV bulb. The results show that oxygen is the most important factor to reduce HC emission with photocatalyst. Photocatalyst seems to have a good probability for automotive application to reduce cold start HC emissions.

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Cellulose Biodegradation Modeling Using Endoglucanase and β-Glucosidase Enzymes (Endoglucanase와 β-Glucosidase 효소에 의한 셀룰로오스 생분해 모델링)

  • Cho, Sun-joo;Kim, Tae-wook;Cho, Daechul
    • Journal of Environmental Science International
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    • 제31권3호
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    • pp.227-235
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    • 2022
  • In this study, a biodegradation model of based on molecular cellulose was established. It is a mathematical, kinetic model, assuming that two major enzymes randomly break glycosidic bonds of cellulose molecules, and calculates the number of molecules by applying the corresponding probability and degradation reaction coefficients. Model calculations considered enzyme dose, cellulose chain length, and reaction rate constant ratio. Degradation increased almost by two folds with increase of temperature (5℃→25℃). The change of degradation was not significant over the higher temperatures. As temperature increased, the degradation rate of the molecules increased along with higher production of shorter chain molecules. As the reaction rates of the two enzymes were comparative the degree of degradation for any combinations of enzyme application was not affected much. Enzyme dose was also tested through experiment. While enzyme dose ranged from 1 mg/L to 10 mg/L, the gap between real data and model calculations was trivial. However, at higher dose of those enzymes (>15 mg/L), the experimental result showed the lower concentrations of reductive sugar than the corresponding model calculation did. We determined that the optimal enzyme dose for maximum generation of reductive sugar was 10 mg/L.