• 제목/요약/키워드: Two-reaction model

검색결과 544건 처리시간 0.025초

다대식 가열로내의 산소농도 변화 모델 (A mathematical model of describing oxygen density's variation in multi-band type reheating furnaces)

  • 은종호;최윤혁;이해영
    • 조명전기설비학회논문지
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    • 제14권6호
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    • pp.58-68
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    • 2000
  • 본 논문에서는 다대식 가열로내의 산소 농도 변화를 표현하는 모델이 제안되었다. 설계된 모델은 크게 '잔류 가스에 대한 모델'과 '산소에 대한 모델'의 두가지로 구성되었다. 각각의 모델은 산소농의 변동에 관여하는 네가지 요인들올 화학, 유체 이론적 관계식과 퍼지 이론을 이용하여 설계되었다. 고려된 네가지 요인들은 버너에서 의 연소반응, 연소대간의 유체 이동, 가열로 내부로부터 외부로의 유체 흐름 및 출입구를 통한 외부 공기의 유입 등이다. 모의 실헝 결과블 통해 제안된 모델로 계산된 각 연소대내의 산소 농도 변화가 설제 조업시 발생하는 유형과 유시함을 알 수 있었다.

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동력학-전달 모델을 활용한 식품 폐기물 감량 해석 (Simulative Calculations of Food Waste Reduction Using Kineto-transport Models)

  • 조선주;김태욱;권성현;조대철
    • 한국환경과학회지
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    • 제30권6호
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    • pp.429-439
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    • 2021
  • Food waste is both an industrial and residential source of pollution, and there has been a great need for food waste reduction. As a preliminary step in this study, waste reduction is quantitatively modeled. This study presents two models based on kinetics: a simple kinetic model and a mass transport-shrinking model. In the simple kinetic model, the smaller is the reaction rate constant ratio k1, the lower the rate of conversion from the raw material to intermediate products. Accordingly, the total elapsed reaction time becomes shorter. In the mass transport-shrinking model, the smaller is the microbial decomposition resistance versus the liquid mass transfer resistance, the greater is the reduction rate of the radius of spherical waste particles. Results showed that the computed reduction of waste mass in the second model agreed reasonably with that obtained from a few experimantal trials of biodegradation, in which the microbial effect appeared to dominate. All calculations were performed using MATLAB 2020 on PC.

Theoretical Evaluation of the Electrophilic Catalyses in Successive Enolization and Reketonization Reactions by Δ5-3-Ketosteroid Isomerase

  • Park, Hwang-Seo;Seh, Jung-Hun;Lee, Sang-Youb
    • Bulletin of the Korean Chemical Society
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    • 제23권6호
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    • pp.837-845
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    • 2002
  • Based on ab initio calculations at the MP2(FULL)/6-31+G**//RHF/6-31G** level, we compare the energetic and mechanistic features of a model reaction for catalytic action of Δ?-3-ketosteroid isomerase (KSL,E.C.5.3,3.1) with those of a corresponding nonenzymatic reaction in aqueous solution. The results show that the two catalytic acid residues,Tyr14 and Asp99, can lower the free energy of activation by 8.6kcal/mol, which is in good agreement with the experimentally predicted~9 kcal/mol,contribution of electrophilic catalyses to the whole enzymatic rate enhancement. The dienolate intermediate formed by proton transfer from the substrate carbon acid to the catalytic base residue (Asp38) ins predicted to be stabilized by 12.0 kcal/mol in the enzymatic reaction, making its formation thermodynamically favorable. It has been argued that enzymes catalyzing the reactions of carbon acids should resolve the thermodynamic problem of stabilizing the enolate intermediate as well as the kinetic porblem of lowering the free energy of activation for porton abstraction. We find that KSI can successfully overcome the thermodynamic difficulty ingerent in the nonenzymatic reaction through the electrophilic catalyses of the two acid residues. Owing to the stabilization of dienolate intermediate, the reketonization step could influence the overall reaction rate more significantly in the KSI- catalyzed reaction than in the nonenzymatic reaction, further supporting the previous experimental findings. However, the electrophilic catalyses alone cannot account for the whole catalygic capability (12-13 kcal/mol), confiming the earlier experimental implications for the invement of additional catalytic components. The present computational study indicates clearly how catalytic residues of KSI resolve the fundamental problems associated with the entropic penalty for forming the rate-limiting transition state and its destabilization in the bulk solvation environment.

고압에서 β-glucosidase 반응속도론 및 평형에 관한 연구 (Kinetics and Equilibrium Study on β-glucosidase under High Hydrostatic Pressure)

  • 한진영;이승주
    • 산업식품공학
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    • 제15권3호
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    • pp.214-220
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    • 2011
  • 중고압 하에서 $\beta$-glucosidase효소반응을 물리화학적 관점에서 연구하였다. 모델 기질 (p-nitrophenyl-${\beta}$-D-glucopyranoside)에 대한 $\beta$-glucosidase 효소의 작용에 대한 압력 효과를 실험 하였다. 즉, 압력 조건(25MPa, 50 MPa, 75 MPa, 100 MPa)과 시간 (10분, 60분, 1시간, 6시간, 24시간, 40시간)의 처리 조건에서 효소 활성도를 분광학적인 표준방법에 따라 측정하였다. 효소-기질 반응의 단계를 크게 kinetic 구간과 평형 구간으로 구분하여 물리화학적 모델을 적용하여, 정 역반응속도 상수, 평형상수, 압력에 의한 부피 감소 등을 산출하였다. 대기압에서 100MPa까지 압력이 증가할수록 효소-기질 반응의 생성물이 더 많이 형성되었으며 전형적인 kinetic 구간과 평형 구간이 나타났다. 압력, 시간, 생성물농도 등의 데이터로부터 kinetic 구간과 평형에서의 생성물 예측 모델을 완성하였다. 결론적으로 중고압 처리에 의하여 효소-기질 반응이 촉진됨을 알 수 있었고, 임의의 압력 및 시간 조건에 따른 생성물의 농도를 예측할 수 있게 되었다.

이중관형 연속 반응기에서 수증기-메탄 개질반응의 실험 및 CFD 시뮬레이션 (A Comparison with CFD Simulation and Experiment for Steam-methane Reforming Reaction in Double pipe Continuous Reactor)

  • 신동우;김래현
    • 에너지공학
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    • 제22권2호
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    • pp.226-236
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    • 2013
  • 고온개질기를 이용한 수증기 메탄 개질반응에 대해 실험 및 전산해석 기법을 이용하여 실제 개질기의 효율 및 개질기의 형상의 변화에 따른 열 분포 및 내부 유동에 대해서 연구하였다. 수증기 개질에 대한 반응모델은 Xu & Froment에 의해 개발된 수증기 반응 모델을 사용하였고, 그 결과로 고온개질기내에서 일어나는 화학반응은 Steam Reforming(SR), Water Gas Shift(WGS), Direct Steam Reforming(DSR) 반응이 다른 반응을 지배한다고 가정하였다. 고온개질기를 이용한 수증기 메탄 개질 반응 실험 결과로는 Steam Carbon Ratio(SCR)이 증가함에 따라 수소 수득율 또한 증가하고 일산화탄소와 메탄은 감소하는것을 알 수 있었다. 또한 입구가 한 개인 디자인과 두 개인 디자인을 비교, 분석하였을 때 입구가 두 개인 개질기보다 입구가 한 개인 개질기에서 열 분포 및 내부유동, 수소 수득율이 우수하다는 결과를 얻게 되었다.

A Study on a car Insurance purchase Prediction Using Two-Class Logistic Regression and Two-Class Boosted Decision Tree

  • AN, Su Hyun;YEO, Seong Hee;KANG, Minsoo
    • 한국인공지능학회지
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    • 제9권1호
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    • pp.9-14
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    • 2021
  • This paper predicted a model that indicates whether to buy a car based on primary health insurance customer data. Currently, automobiles are being used to land transportation and living, and the scope of use and equipment is expanding. This rapid increase in automobiles has caused automobile insurance to emerge as an essential business target for insurance companies. Therefore, if the car insurance sales are predicted and sold using the information of existing health insurance customers, it can generate continuous profits in the insurance company's operating performance. Therefore, this paper aims to analyze existing customer characteristics and implement a predictive model to activate advertisements for customers interested in such auto insurance. The goal of this study is to maximize the profits of insurance companies by devising communication strategies that can optimize business models and profits for customers. This study was conducted through the Microsoft Azure program, and an automobile insurance purchase prediction model was implemented using Health Insurance Cross-sell Prediction data. The program algorithm uses Two-Class Logistic Regression and Two-Class Boosted Decision Tree at the same time to compare two models and predict and compare the results. According to the results of this study, when the Threshold is 0.3, the AUC is 0.837, and the accuracy is 0.833, which has high accuracy. Therefore, the result was that customers with health insurance could induce a positive reaction to auto insurance purchases.

수종(數種)의 흡수성(吸收性) 봉합사(縫合絲)가 조직반응(組織反應)에 미치는 영향(影響)에 관(關)한 실험적(實驗的) 연구(硏究) (AN EXPERIMENTAL STUDY OF TISSUE REACTION OF ABSORBABLE SUTURE MATERIALS)

  • 송선철;김경욱
    • Maxillofacial Plastic and Reconstructive Surgery
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    • 제13권4호
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    • pp.381-390
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    • 1991
  • The purpose of this study was to select the absorbable suture material with the lowest level of foreign body reaction in the extraoral field. The absorbable sutures tested were polyglactin 910(Vicryl), polyglycolic acid(Dexon), and chromic gut. Black silk served as to control suture. Eighteen domestic rabbits served as the animal model for testing purposes. After shaving the fur, A six centimeter incision was made in the hind quarter of all eighteen animals. Each wound was then closed wit two Vicryl, two Dexon, and two chromic gut sutures. All wounds were closed in the same manner. A similar wound was made on the oppsite side and closed with black silk suture. Three rabbits were then sacrificed on postoperative day one, three, seven fourteen, twenty-one, and twenty-eight. The surgical sites were then examined histologically. 1. On days one, three, and seven all suture materials as a similar severe level of inflammatory response. On the fourteenth day the inflammatory reaction of Vicryl was minimal, chromic gut was moderate, and Dexon was severe, Black silk control groups demosnstrated the most severe levels of inflammation of all sutures tested from day fourteen to twenty-eight. 2. On the fourteenth day all absorbable suture materials demonstrated similar minimal levels of resorption. At twenty-eight days Vicryl demonstrated a greater amount of resorption than Dexon or cromic gut suture. There was no resorption noted in the black silk control groups through day twenty-eight. 3. Due to its decreased level of inflammatory response in the animal model, Vicryl might be expected to as a decreased level of response in humans. It is felt that Vicryl is preferred to Dexon or chromic gut for extraoral suturing.

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D-Glucose-Glycine 계의 Maillard 반응생성물 및 그 생성기구 (Maillard Reaction Products Formed from D-Glucose-Glycine, System and Their Formation Mechanism)

  • 김선봉;박영호
    • 한국수산과학회지
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    • 제19권1호
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    • pp.45-51
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    • 1986
  • D-glucose-glycine 계를 사용하여 Maillard 반응에 의하여 생성되는 저분자 휘발성성분을 비롯하여 amide 화합물의 생성 및 그 기구를 검토하였다. 그 결과, 동정된 저분자 휘발성성분 중에서, headspace gas 중의 휘발성성분은 furan, acetone, 2-methylfuran, 2,5-dimethylfuran 2-butanone 2,3-pentanedione, diacetyl 등이었다, 이 중에서 diacetyl의 생성량이 가장 많아, 전 peak 면적의 약 $70\%$를 차지하였다. 또한, 에테르 추출물중의 주요반응생성물은 초산, furfuryl alcohol 2,5-dimethylpyrrole 2-acetylpyrrole 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one 등이었고, ethyl acetate 로 추출한 산성획분중에는 N-acetyl-glycine와 N-methylacetamide 등 2종류의 amide 화합물의 생성이 밝혀졌다. 이들 amide 화합물적 생성기구를 밝히기 위하여, Mailiard 반응초기생성물인 diacetyl 및 glyoxal을 각각 butylamine과 반응시킨 결과, Schiff 염기의 산화적 분해로 N-butylacetamide 및 N-butylformamide의 생성이 인정되었다. 따라서 N-acetylglycine 및 N-methylacetamide는 glucosylamine의 2,3-enol 화 및 ${\beta}-elimination$에 의한 탈수의 진행으로 생성된 dicarbonyl 화합물이 glycine과 반응하여 Schiff 염기를 형성하고, 이 Schiff 염기가 산화적분해를 받아서 N-acetylglycine이 생성되고, N-methylacetamide는 N-acetylglycine의 탈탄산에 의해서 생성된다고 생각한다.

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정상 중력장에서 낮은 스트레인율을 갖는 대향류 비예혼합화염의 소화한계 (Extinction Limits of Low Strain Rate Counterflow Nonpremixed Flames in Normal Gravity)

  • 오창보;최병일;김정수;;박정
    • 대한기계학회논문집B
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    • 제29권9호
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    • pp.997-1005
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    • 2005
  • The extinction characteristics of low strain rate normal gravity (1-g) nonpremixed methane-air flames were studied numerically and experimentally. A time-dependent axisymmetric two-dimensional (2D) model considering buoyancy effects and radiative heat transfer was developed to capture the structure and extinction limits of 1-g flames. One-dimensional (1D) computations were also conducted to provide information on 0-g flames. A 3-step global reaction mechanism was used in both the 1D and 2D computations to predict the measured extinction limit and flame temperature. A specific maximum heat release rate was introduced to quantify the local flame strength and to elucidate the extinction mechanism. Overall fractional contribution by each term in the energy equation to the heat release was evaluated to investigate the multi-dimensional structure and radiative extinction of 1-g flames. Images of flames were taken for comparison with the model calculation undergoing extinction. The two-dimensional numerical model was validated by comparing flame temperature profiles and extinction limits with experiments and ID computation results. The 2D computations yielded insight into the extinction mode and flame structure of 1-g flames. Two combustion regimes depending on the extinction mode were identified. Lateral heat loss effects and multi-dimensional flame structure were also found. At low strain rates of 1-g flame ('Regime A'), the flame is extinguished from the weak outer flame edge, which is attributed to multi-dimensional flame structure and flow field. At high strain rates, ('Regime B'), the flame extinction initiates near the flame centerline due to an increased diluent concentration in reaction zone, which is the same as the extinction mode of 1D flame. These two extinction modes could be clearly explained with the specific maximum heat release rate.

Hyperbolic Reaction-Diffusion Equation for a Reversible Brusselator: Solution by a Spectral Method

  • 이일희;김광연;조웅인
    • Bulletin of the Korean Chemical Society
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    • 제20권1호
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    • pp.35-41
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    • 1999
  • Stability characteristics of hyperbolic reaction-diffusion equations with a reversible Brusselator model are investigated as an extension of the previous work. Intensive stability analysis is performed for three important parameters, Nrd, β and Dx, where Nrd is the reaction-diffusion number which is a measure of hyperbolicity, β is a measure of reversibility of autocatalytic reaction and Dx is a diffusion coefficient of intermediate X. Especially, the dependence on Nrd of stability exhibits some interesting features, such as hyperbolicity in the small Nrd region and parabolicity in the large Nrd region. The hyperbolic reaction-diffusion equations are solved numerically by a spectral method which is modified and adjusted to hyperbolic partial differential equations. The numerical method gives good accuracy and efficiency even in a stiff region in the case of small Nrd, and it can be extended to a two-dimensional system. Four types of solution, spatially homogeneous, spatially oscillatory, spatio-temporally oscillatory and chaotic can be obtained. Entropy productions for reaction are also calculated to get some crucial information related to the bifurcation of the system. At the bifurcation point, entropy production changes discontinuously and it shows that different structures of the system have different modes in the dissipative process required to maintain the structure of the system. But it appears that magnitude of entropy production in each structure give no important information related for states of system itself.