• Title/Summary/Keyword: 반응메커니즘

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First-Principles Analysis of Nitrogen Reduction Reactions on Ruthenium Catalyst Surfaces for Electrochemical Ammonia Synthesis (전기화학적 암모니아 합성을 위한 루테늄 촉매 표면에서의 질소 환원반응 메커니즘 해석의 위한 제1원리 모델링)

  • Mihyeon Cho;Sangheon Lee
    • Korean Chemical Engineering Research
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    • v.61 no.4
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    • pp.598-603
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    • 2023
  • Electrochemical ammonia production using catalysts offers a promising alternative to the conventional Haber-Bosch process, allowing for ambient temperature and pressure conditions, environmentally friendly operations, and high-purity ammonia production. In this study, we focus on the nitrogen reduction reactions occurring on the surfaces of ruthenium catalysts, employing first-principles calculations. By modeling reaction pathways for nitrogen reduction on the (0001) and (1000) surfaces of ruthenium, we optimized the reaction structures and predicted favorable pathways for each step. We found that the adsorption configuration of N2 on each surface significantly influenced subsequent reaction activities. On the (0001) surface of ruthenium, the end-on configuration, where nitrogen molecules adsorb perpendicularly to the surface, exhibited the most favorable N2 adsorption energy. Similarly, on the (1000) surface, the end-on configuration showed the most stable adsorption energy values. Subsequently, through optimized hydrogen adsorption in both distal and alternating configurations, we theoretically elucidated the complete reaction pathways required for the final desorption of NH3.

Reduced Chemical Kinetic Mechanism for Premixed CO/H2/Air Flames ([ CO/H2/Air ] 예혼합 화염에 대한 준총괄 화학반응 메커니즘)

  • Jang, Kyoung;Cha, Dong-Jin;Joo, Yong-Jin;Lee, Ki-Yong
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.32 no.2
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    • pp.133-140
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    • 2008
  • A reduced chemical kinetic mechanism is developed in order to predict the flame phenomena in premixed $CO/H_2/Air$ flames at atmospheric pressure, aimed at studying the coal gas combustion for the IGCC applications. The reduced mechanism is systematically derived from a full chemical kinetic mechanism involving 11 reacting species and 66 elementary reactions. This mechanism consists of four global steps, and is capable of explicitly calculating the concentration of 7 non-steady species and implicitly predicting the concentration of 3 steady state species. The fuel blend contains two fuels with distinct thermochemical properties, whose contribution to the radical pool in the flame is different. The flame speeds predicted by the reduced mechanism are in good agreement with those by the full mechanism and experimental results. In addition, the concentration profiles of species and temperature are also in good agreement with those by the full mechanism.

용융아연도금 공정에서 초기 Fe 함량이 강판의 용출속도에 미치는 영향 및 강판의 용출 메커니즘 고찰

  • Lee, Sang-Myeong;Park, Ju-Hyeon
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2016.11a
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    • pp.106-106
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    • 2016
  • 강의 산화 및 부식을 방지할 수 있는 표면처리 강판의 수요가 늘어나고 있다. 그 중 용융아연도금 강판은 뛰어난 경제성 및 도금성, 그리고 희생적 방식 특성으로 각광받고 있다. 자동차용 강판의 경우 도금 공정 이후의 표면 상태가 매우 중요하다. 도금 공정의 주된 표면 결함은 강판이 도금욕 내에서 이동 하면서 수반된 도금욕 내의 Zn-Fe-Al dross 입자에 기인한다. 도금공정 중 강판으로부터 용출된 Fe는 도금욕 내의 Zn 와 Al 과 반응하여 밀도가 높은 Bottom dross 나 밀도가 낮은 Top dross를 형성한다. 이에 본 연구에서는 강판으로부터 Fe의 용출속도에 미치는 도금욕 내 초기Fe 농도의 영향을 속도론적으로 평가하였다. 본 연구에서는 'Finger rotating method (FRM)' 방법론을 적용하였으며. 실험을 위해 수직 관상로 내부에 Zn-Al-Fe 시료를 장입한 알루미나 도가니를 위치시킨 후 온도를 $455^{\circ}C$로 설정하고, 지름 20mm의 Iron rod를 회전모터에 연결하여 Zn-Al-Fe 용탕에 침적한 후 회전시켰다. 실험 결과, 초기 Fe 함량과 용탕의 Fe포화 농도의 차이가 적을수록 Fe의 용출 속도는 감소하였으며 Dross 생성량 또한 적었다. 용탕 및 Iron rod 샘플 관찰 결과를 바탕으로 회전하는 Fe 시편으로부터 도금욕으로의 Fe 용출 메커니즘을 고찰하였다. 용출 모델을 토대로 모델링 한 결과, 용탕 내 Fe 농도 변화양상이 모델링 data와 실험 data가 동일한 양상을 보임을 확인 하였다.

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Verification of Calcium Carbonate by Cementation of Silt and Sand Using Bacteria (Bacteria를 이용한 실트와 모래의 고결화에 따른 탄산칼슘 확인)

  • Park, Kyung-Ho;Kim, Dae-Hyeon
    • Journal of the Korean Geotechnical Society
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    • v.28 no.6
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    • pp.53-61
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    • 2012
  • The purpose of this study is to understand the mechanism of cementation of soil induced by bacteria. In order to understand the mechanism of cementation of soft soils treated with bacteria, six types of specimens(Not treated, Normal concentration bacteria treatment, High concentration bacteria treatment, Supernatant high concentration bacteria treatment, Double high concentration bacteria treatment, and 25% Specimen high concentration bacteria treatment) were made. Scanning Electron Microscope (SEM), EDX and X-ray diffraction (XRD) analyses were performed on the soft silt and loose sand specimens. Compared with the normal bacteria concentration treated specimen, a clearer cementation between particles was observed in the 25% specimen high bacteria concentration treated specimen. On the basis of the preliminary results, it appears that microbial cementation can occur in the soft soil.

Theoretical Consideration of the Modified Haldane Model of the Substrate Inhibition in the Microbial Growth Processes (미생물 성장 공정에서의 기질 저해에 관한 modified Haldane 모델의 이론적 고찰)

  • Hwang, Young-Bo
    • Applied Chemistry for Engineering
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    • v.19 no.3
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    • pp.277-286
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    • 2008
  • This paper deals with the theoretical derivation of the modified Haldane model of the substrate inhibition in the microbial growth processes. Based on the biological concepts of substrate-receptor complex working mechanisms, a new microbial kinetics of N-fold multiplex substrate inhibition and its generalization has been considered theoretically, which is natural expansion of the simple substrate inhibition mechanism in the enzyme reaction. As a result, the modified Haldane model of the substrate inhibition turns out to be a well-designed four-parameter kinetic model with a biological constant of the total substrate inhibition concentration.

Non-explosive Low-shock Separation Device for small satellite (소형 위성용 비폭발식 저충격 분리장치)

  • Park, Hyun-Jun;Tak, Won-Jun;Han, Bum-Ku;Kwag, Dong-Gi;Hwang, Jai-Hyuk;Kim, Byung-Kyu
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.37 no.5
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    • pp.457-463
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    • 2009
  • This paper describes the development of non-explosive separation(NES) device which can be equipped on a small satellite. It comprises mechanism itself and spring-type shape memory alloy(SMA) actuator. In order to design SMA actuator properly, the necessary actuation force is measured. Based on that result, SMA actuator is designed and fabricated. Finally, SMA actuator and the proposed mechanism are integrated. In order to evaluate performance of the developed NES, we carried out a response time test, preload test and shock level test. In near future, we expect to replace the imported NES device with the developed device.

Occurrence and Morphological Characteristics of the Peperite in Mt. Juwang, Cheongsong (청송 주왕산 페퍼라이트의 산출상태 및 형태학적 특징)

  • Woo, Hyeon Dong;Jang, Yun Deuk
    • Economic and Environmental Geology
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    • v.47 no.2
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    • pp.97-105
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    • 2014
  • Peperite exposed along the Dajeonsa basalt in Mt.Juwang, Cheongsong emerged as a consequence of the simultaneity of volcano-sedimentary sequences. This study aims to classify peperites as morphological characteristics and infer the formation process by the field investigation, image analysis, X-Ray Diffractometer and polarization microscope for the magma-sediment interaction mechanism and paleoenvironment. As a result of the field investigation globular(fluidal) peperite is the representative feature at the bottom of Dajeonsa basalt, sub-angular peperite at the middle and irregular peperite at the top. Peperite domains range from sheet and pod or feeder conduit. Although the study that the morphologies of peperite are controled by the sorts of sediment and lava or magma has tended to center around the peperite, the study addresses not single mechanism but the multi-stage mechanism because Mt.juwang peperite, under the same conditions, varies in shapes and sizes and also the ratio of sediments that show the most change of the peperite affects to the formation of peperite.

A Study of Core-Stateless Mechanism for Fair Bandwidth Allocation (대역 공평성 보장을 위한 Core-Stateless 기법 연구)

  • Kim, Hwa-Suk;Kim, Sang-Ha;Kim, Young-Bu
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.28 no.4C
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    • pp.343-355
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    • 2003
  • Fair bandwidth allocations at routers protect adaptive flows from non-adaptive ones and may simplify end-to end congestion control. However, traditional fair bandwidth allocation mechanisms, like Weighted Fair Queueing and Flow Random Early Drop, maintain state, manage buffera and perform packet scheduling on a per-flow basis. These mechanisms are more complex and less scalable than simple FIFO queueing when they are used in the interi or of a high-speed network. Recently, to overcome the implementation complexity problem and address the scalability and robustness, several fair bandwidth allocation mechanisms without per-flow state in the interior routers are proposed. Core-Stateless Fair Queueing and Rainbow Fair Queuing are approximates fair queueing in the core-stateless networks. In this paper, we proposed simple Layered Fair Queueing (SLFQ), another core-stateless mechanism to approximate fair bandwidth allocation without per-flow state. SLFQ use simple layered scheme for packet labeling and has simpler packet dropping algorithm than other core-stateless fair bandwidth allocation mechanisms. We presente simulations and evaluated the performance of SLFQ in comparison to other schemes. We also discussed other are as to which SLFQ is applicable.

A Vulnerability Analysis of Intrusion Tolerance System using Self-healing Mechanism (자가치유 메커니즘을 활용한 침입감내시스템의 취약성 분석)

  • Park, Bum-Joo;Park, Kie-Jin;Kim, Sung-Soo
    • Journal of KIISE:Computer Systems and Theory
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    • v.32 no.7
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    • pp.333-340
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    • 2005
  • One of the most important core technologies required for the design of the ITS (Intrusion Tolerance System) that performs continuously minimal essential services even when the network-based computer system is partially compromised because of the external or internal intrusions is the quantitative dependability analysis of the ITS. In this paper, we applied self-healing mechanism, the core technology of autonomic computing to secure the protection power of the ITS. We analyzed a state transition diagram of the ITS composed of a Primary server and a backup server utilizing two factors of self-healing mechanism (fault model and system response) and calculated the availability of ITS through simulation experiments and also performed studies on two cases of vulnerability attack.

Development of a Forecasting Model for Refinery Crude Column Overhead Corrosion Control (원유 증류 공정 탑 상부의 부식 예측 모델 개발)

  • Kim, Seung-Nam;Kim, Jung-Hwan;Moon, Il
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.35 no.2
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    • pp.143-148
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    • 2011
  • Corrosion at the top of a distillation column is a common problem in refineries and chemical plants. In particular, severe damage has been inflicted in refineries by corrosive materials such as hydrogen sulfide and chlorine. Therefore, the mechanism of the corrosion occurring at the top of a distillation column has been analyzed, and a model for forecasting the corrosion rate has been developed. Four major materials were selected for modeling: $H_2S$, $CO_2$, $H^+$ and $Cl^-$. These were selected by taking into consideration their effect on the corrosion rate. Studies on the transport phenomenon and reaction engineering for this model were carried out, and the reliability of the model was verified on the basis of the data measured at a real refinery.