• Title/Summary/Keyword: 반응경로

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CO Formation Characteristics in Under-ventilated Fire Conditions using a PSR (Perfectly Stirred Reactor) (완전혼합반응기(PSR)를 이용한 환기부족화재조건에서 CO의 생성특성)

  • Hwang, Hae-Joo;Hwang, Cheol-Hong;Park, Chung-Hwa;Oh, Chang-Bo
    • Proceedings of the Korea Institute of Fire Science and Engineering Conference
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    • 2012.04a
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    • pp.34-37
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    • 2012
  • 환기부족 구획화재에서 CO의 생성은 온도 및 조성에 큰 영향을 받으며, 구획 내의 체류시간 및 이동경로에 따라 복잡한 현상을 경험하게 된다. 그 결과 구획 내부의 CO 생성특성을 실험을 통해 상세하게 규명하는 것은 많은 한계가 있다. 이러한 배경 하에 본 연구에서는 환기부족 구획화재의 조건에서 총괄당량비에 따른 CO의 생성특성에 관한 수치해석 연구를 수행하였다. PSR(완전혼합반응기) code와 헵탄연료의 상세화학반응기구가 사용되었다. 주요 변수로서 체류시간, 온도, 반응물과 생성물의 혼합정도 그리고 열손실 등이 CO의 생성에 미치는 독립적 영향을 검토하였다. 추가로 주요반응에 의한 CO의 몰 생성률 및 소모율과 CO의 반응경로 분석을 통해 환기부족 구획화재의 조건에서 구체적인 CO 생성특성에 관한 이해가 시도되었다.

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Pyrolytic Reaction Pathway of Dichloromethane in Excess Hydrogen (과잉수소 반응분위기에서 Dichloromethane 열분해 반응경로에 관한 연구)

  • Won, Yang-Soo
    • Applied Chemistry for Engineering
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    • v.17 no.6
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    • pp.638-643
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    • 2006
  • Pyrolytic reaction study of dichloromethane ($CH_{2}Cl_{2}$) in excess hydrogen was performed to investigate pyrolytic reaction pathways at a pressure of 1 atm with residence times of 0.3~2.0 sec in the temperature range of $525{\sim}900^{\circ}C$. A constant feed molar ratio $CH_{2}Cl_{2}$:$H_{2}$ of 4:96 was maintained through the experiment. Reagent loss and product formation were monitored by using an on-line gas chromatograph, where batch samples were analyzed by GC/MS. Complete destruction(99%) of the parent reagent was observed at temperature near $780^{\circ}C$ with residence time over 1 sec. Major products observed were $CH_{3}Cl$, $CH_{4}$, $C_{2}H_{4}$, $C_{2}H_{6}$, and HCl. Minor products included $CHClCCl_{2}$, CHClCHCl, $CH_{2}CHCl$, and $C_{2}H_{2}$. The pyrolytic reaction pathways to describe the important features of intermediate product distributions and reagent loss, based upon thermodynamic and kinetic principles, were suggested. The results of this work provided a better understanding of pyrolytic decomposition processes which occur during the pyrolysis of $CH_{2}Cl_{2}$ and similar chlorinated methanes.

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.

Regulation of Chicken FABP4 Transcription by Toll-Like Receptor 3 Activation in DF-1 Cells

  • Jae Rung So;Sujung Kim;Ki-Duk Song
    • Korean Journal of Poultry Science
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    • v.50 no.4
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    • pp.283-291
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    • 2023
  • Long-chain fatty acids (LCFAs) are vital in cellular compartments, primarily regulating lipid metabolism. Fatty Acid-Binding Proteins (FABPs) facilitate LCFA transport, lipid synthesis, storage, and act as signaling molecules influencing various pathways, including inflammation. FABP4, in particular, is linked to vascular and cardio-related diseases, and it plays a role in macrophage-mediated inflammatory responses. Previous studies have identified FABP4 as not only a representative biomarker for lipogenesis but also as having correlations with immune responses. This study aims to investigate the regulation of the chicken FABP4 (chFABP4) gene by toll-like receptor 3 (TLR3) activation and determine the signaling pathways that are involved in chFABP4 transcriptional regulation. We analyzed the transcriptional regulation of chFABP4 in TLR3-stimulated DF-1 cells. The results showed that chFABP4 was up-regulated upon stimulation with polyinosinic-polycytidylic acid (PIC), a TLR3 ligand. Notably, chFABP4 transcription was independently regulated in the NF-κB signaling pathway. It was up-regulated in p38 inhibition, demonstrating that the p38 signaling pathway might suppress the transcription of chFABP4 within TLR3-activated DF-1 cells. In contrast, chFABP4 expression was down-regulated in JNK signaling pathway inhibition, suggesting the positive regulation of JNK signaling pathway for chFABP4 transcription in DF-1 cells in response to TLR3 activation, consistent with findings in macrophages. MEK pathway inhibition resulted in a similar regulation to NF-κB signaling. These results suggest that each MAPK contributes differentially to the transcriptional regulation of chFABP4 by in DF-1 cells in response to TLR3 activation.

Impact of Multipath Fading on the Performance of the DDLMS Based Spatio Temporal Smart Antenna (다중경로페이딩이 DDLMS 기반 스마트 안테나의 성능에 미치는 영향)

  • Hong, Young-Jin
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.34 no.9C
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    • pp.871-879
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    • 2009
  • The performance variations of a spatio temporal smart antenna which is equipped at the basestation of CDMA cellular communication network due to the parametric change of multipath fading environment are studied in this paper. The smart antenna of interest employs space diversity based adaptive array structure in conjunction with rake receiver that has fingers the number of which is the same as that of multipath links. The beamforming is achieved via LMS(Least Mean Square) algorithm in which a reference signal is generated using decision directed formula. It has been shown by computer simulation that the performance of our smart antenna of interest depends significantly upon not only the degree of desired signal's DOA(Direction of Arrival)spread but the number of fingers of the rake receiver. The relative insensitivity of the smart antenna's performance on desired signal's delay spread has also been observed. Computer simulation has shown that the increase of the number of fingers brings in a nonlinear enhancement of the performance of our smart antenna. The renewal of weight vector in the beamforming procedure is taken place at post PN despread stage.

The Substitution Mechanism of $[CoCl(Hedta)]^-$ ion by Ethylenediamine in the Presence of $Hg^{2+}$ ion ($Hg^{2+}$이온의 존재하에서 $[CoCl(Hedta)]^-$ 이온에 대한 에틸렌디아민과의 치환반응기구에 관한 연구)

  • Sang-Mock Lee;Dong-Jin Lee;Myung-Ki Doh
    • Journal of the Korean Chemical Society
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    • v.31 no.6
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    • pp.534-541
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    • 1987
  • The study of reaction mechanism for the substitution of ethylenediamine (en) for Cl and Hedta from $[CoCl(Hedta)]^-$ in the presence of $Hg^{2+}$ ion was carried out by uv and CD spectra. From the kinetic data, we proposed that the first ethylenediamine be substituted through the associative reaction path by means of interaction of $Hg^{2+}$ ion with Co(III), and that the second and the third ethylenediamine be substituted stepwise. From the optical purities of $[Co(en)_3]^{3+}$ which was formed after reaction, we suggested the critical stereochemical step and new substitution reaction paths.

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A DFT Study for the Reaction Pathway(s) of Polycyclic Aromatic Hydrocarbons I: Phenanthrene Degradation with two OH Radicals (다고리 방향족 탄화수소의 반응 경로에 대한 DFT 연구 I: 2개의 OH 라디칼에 의한 페난트렌의 분해 반응)

  • Lee, Min-Joo;Lee, Byung-Dae
    • Journal of the Korean Chemical Society
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    • v.65 no.1
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    • pp.9-14
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    • 2021
  • In this study, the DFT calculation was performed using the B3LYP/6-31G(d,p) basis sets for the reaction process in which phenanthrene decomposes due to the chain reaction of two OH radicals on phenanthrene in the gaseous state of 298 K at 1 atm. As a result of the calculation, even when two OH radicals act on phenanthrene in a chain, the reaction for producing phenanthren-9-ol is predicted to be more advantageous than the reaction for producing phenanthren-1-ol. On the other hand, it was predicted that the OH addition process at room temperature would be advantageous for the priority of the OH addition and H abstraction process.

Effects of Temperature and Pressure on the Reaction of [Pt(dien)X]$^+$ with ${NO_2}^-$ Aqueous Solutions (수용액에서 [Pt(dien)X]$^+$${NO_2}^-$와의 치환반응에 미치는 온도 및 압력변화)

  • Sang Oh Oh;Sang Hyup Lee;Hwan Jin Yeo;Jong Wan Lim;Du Hwan Jo
    • Journal of the Korean Chemical Society
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    • v.33 no.4
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    • pp.371-378
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    • 1989
  • Kinetics of the substitution reaction of [pt[dien]X]$^+$(X = $Cl^-$, $Br^-$, $I^-$) with NO2- in aqueous solution were investigated by a spectrophotometric method at $20-35^{\circ}C$ and 1-1500 bars. The rates of these reactions were increased with raising temperature and pressure. The relative reactivities of replaceable ligands in [pt[dien]X]$^+$ follow the order ($Cl^-$ > $Br^-$ > $I^-$). Activation volumes (${\mid}{\Delta}V^{\neq}{\mid}$) were large negative values and decreased with raising temperature. First ($k_1$) and second($k_2$) order rate constants of these reactions were determined at $25^{\circ}C$ and both $k_1$ and $k_2$ were increased with raising pressure and activation volumes (${\Delta}{V_1}^{\neq}$, ${\Delta}{V_2}^{\neq}$) for the $k_1$ and $k_2$ path were large negative values respectively. The $k_1$ and $k_2$ of these reactions were determined at 1 bar and these values were increased with raising temperature. Activation parameters of $k_1$ and $k_2$ path were determined, therefore it can be inferred frp, these results that the substitution reactions of [pt[dien]X]$^+$ with ${NO_2}^-$ proceed through on associative (A) mechanism independent of a leaving groups and reaction paths.

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Analysis on ACO Algorithm for Searching Shortest Path (최단경로 탐색을 위한 ACO 알고리즘의 비교 분석)

  • Choi, Kyung-Mi;Park, Young-Ho
    • Proceedings of the Korea Information Processing Society Conference
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    • 2012.04a
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    • pp.1354-1356
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    • 2012
  • 최근 ITS(Intelligent Transportation Systems)의 개발과 함께 차량용 내비게이션의 사용이 급증하면서 경로탐색의 중요성이 더욱 가속화되고 있다. 현재 차량용 내비게이션은 멀티미디어 및 정보통신 기술의 결합과 함께 다양한 기능 및 정보를 사용자에게 제공하고 있으며 이러한 기능과 정보를 사용해서 목적지점까지의 최단경로를 탐색하는 것이 내비게이션 시스템의 핵심기능이다. 이러한 경로탐색 알고리즘은 교통시스템, 통신 네트워크, 운송 시스템은 물론 이동 로봇의 경로 설정 등 다양한 분야에 사용되고 있다. 개미 집단 최적화(Ant Colony Optimization, ACO) 알고리즘은 메타 휴리스틱 탐색 방법으로 그리디 탐색(Greedy Search)뿐만 아니라 긍정적 반응의 탐색을 사용한 모집단에 근거한 접근법으로 순환 판매원 문제(Traveling Salesman Problem, TSP)를 풀기 위해 처음으로 제안되었다. 본 논문에서는 개미 집단 최적화(ACO) 알고리즘이 기존의 경로 탐색 알고리즘으로 알려진 Dijkstra 보다 최단경로 탐색에 있어서 더 적합한 알고리즘이라는 것을 설명하고자 한다.