• 제목/요약/키워드: Reaction model

검색결과 2,854건 처리시간 0.029초

Interaction Metal Ions with NADH Model Compounds. Cupric Ion Oxidation of Dihydronicotinamides

  • Park, Joon-Woo;Yun, Sung-Hoe;Koh Park, Kwang-Hee
    • Bulletin of the Korean Chemical Society
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    • 제9권5호
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    • pp.298-303
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    • 1988
  • Kinetic studies on cupric ion ($Cu^{2+}$) oxidation of 1-benzyl- and 1-aryl-1,4-dihydronicotinamides (XNAH) in aqueous solution were performed. In the presence of dioxygen ($O_2$), the reaction followed first order kinetics with respect to both XNAH and $Cu^{2+}$. The oxidation reaction was found to be independent and parallel to the acid-catalyzed hydration reaction of XNAH. The catalytic role of $Cu^{2+}$ for the oxidation of XNAH in the presence of $O_2$ was attributed to $Cu^{2+}/Cu^+$ redox cycle by the reactions with XNAH and $O_2$. The second order rate constants of the Cu2+ oxidation reaction kCu, and acid-catalyzed hydration reaction $k_H$ were strongly dependent on the nature of the substituents in 1-aryl moiety. The slopes of log $k_{Cu}$ vs log $K_H$ and log $k_{Cu}$ vs ${\sigma}_p$ of the substituents plots were 1.64 and -2.2, respectively. This revealed the greater sensitivity of the oxidation reaction rate to the electron density on the ring nitrogen than the hydration reaction rate. A concerted two-electron transfer route involving XNAH-$Cu^{2+}$ complex was proposed for mechanism of the oxidation reaction.

Kinetics Study of Malachite Green Fading in the Presence of TX-100, DTAB and SDS

  • Samiey, Babak;Toosi, Ali Raoof
    • Bulletin of the Korean Chemical Society
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    • 제30권9호
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    • pp.2051-2056
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    • 2009
  • The rate constants of alkaline fading of malachite green ($MG^+$) was measured in the presence of nonionic (TX-100), cationic (DTAB) and anionic (SDS) surfactants. This reaction was studied under pseudo-first-order conditions at 283∼303 K. The rate of fading reaction showed noticeable dependence on the electrical charge of the used surfactants. It was observed that the reaction rate constants were increased in the presence of TX-100 and DTAB and decreased in the presence of SDS. According to Hughs-Ingold rules for nucleophilic substitution reactions, the electric charge of MG/surfactant compound along with decrease in dielectric constant of $MG^+$ micro-environment in this compound varies the rate of fading reaction. Binding constants of surfactant molecules to $MG^+$ were calculated using cooperativity, pseudo-phase ion exchange and classical models and the related thermodynamic parameters were obtained by classical model. The results show that the binding of $MG^+$ to TX-100 is exothermic and binding of $MG^+$ to DTAB and SDS in some concentration ranges of the used surfactants is endothermic and in the other ones is exothermic.

Optimizing Electrical and Mechanical Properties of Reaction-Sintered SiC by using Different-Sized SiC Particles in Preform

  • Jeon, Young-Sam;Shin, Hyun-Ho;Park, Jin-Soo;Kang, Sang-Won
    • 한국세라믹학회지
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    • 제45권8호
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    • pp.439-442
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    • 2008
  • A series of reaction-sintered SiC was fabricated from preforms with varying volume fractions of two resin-coated SiC particles of different sizes (63 and $18{\mu}m$). The electrical resistivity and mechanical strength were eventually optimized at the small particle volume fraction of $0.3{\sim}0.4$, at which point the porosity of the preform was minimized. This study experimentally proves that additional processes after the formation of the preform, such as silicon infiltration and reaction sintering, do not apparently alter the optimum volume fraction of the preform packing, predicted by an existing analytical model based on solid packing. Thus, the volume fraction of particles of different sizes can be determined practically through the solid packing model to fabricate RSSCs with optimal properties.

달 탐사선의 동역학 모델링 및 관성 모멘트 추정에 관한 연구 (A Study on Dynamic Modelling and Mass Properties Estimation of the Lunar Module)

  • 심상현;김광진;이상철;고상호;류동영;주광혁
    • 한국항공운항학회지
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    • 제18권4호
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    • pp.30-37
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    • 2010
  • This paper deals with attitude determination and parameter estimation problems for a lunar module. For this we first derive equations of motion for the lunar module by considering allocation locations (configurations) of reaction thruster and a reaction wheel assembly. The lunar module is assumed as a rigid body. In order to include the effect of fuel sloshing on the dynamics of the lunar module, we model it as a spherical pendulum for a simple analysis. For estimating angular rates and moment of inertia of the module, we employ an extended Kalman filter and the least mean square algorithms, respectively. Finally we construct a dynamical model for the lunar module by combining all these elements.

미분탄 보일러 연소 해석에서 석탄 반응 모델 및 난류 혼합 속도의 영향 평가 (Influence of Coal Conversion Model and Turbulent Mixing Rate in Numerical Simulation of a Pulverized-coal-fired Boiler)

  • 양주향;김정은;류창국
    • 한국연소학회지
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    • 제20권3호
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    • pp.35-42
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    • 2015
  • Investigating coal combustion in a large-scale boiler using computational fluid dynamics (CFD) requires a combination of flow and reaction models. These models include a number of rate constants which are often difficult to determine or validate for particular coals or furnaces. Nonetheless, CFD plays an important role in developing new combustion technologies and improving the operation. In this study, the model selection and rate constants for coal devolatilization, char conversion, and turbulent reaction were evaluated for a commercial wall-firing boiler. The influence of devolatilization and char reaction models was found not significant on the overall temperature distribution and heat transfer rate. However, the difference in the flame shapes near the burners were noticeable. Compared to the coal conversion models, the rate constant used for the eddy dissipation rate of gaseous reactions had a larger influence on the temperature and heat transfer rate. Based on the operation data, a value for the rate constant was recommended.

확산모델을 이용한 다중전자 전극반응에 대한 순환전위법의 전산모델링 (Computational Modeling of Cyclic Voltammetry on Multi-electron Electrode Reaction using Diffusion Model)

  • 조하나;윤도영
    • 전기화학회지
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    • 제15권3호
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    • pp.165-171
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    • 2012
  • 본 연구에서는 전기화학계에서 중요한 다중전자의 이동이 수반되는 전극 반응에 대하여 순환전위법의 특성곡선을 모델링하여, MATLAB 프로그램으로 구현하였다. 전극주변의 전기화학 물질전달계에 대하여 반무한 확산모델의 경계조건을 설정하였고, Fick의 농도방정식은 유한차분법으로 전개하여 수치해를 구하였고, Butler-Volmer 식으로부터 계산된 농도값을 전류의 값으로 전환하였다. 본 연구에서 구현된 수치해는 기존의 실험치들과 합리적으로 설명하고 있었으며, 이를 근거로 다중전자 전기화학 반응계에서 반응메카니즘에 대한 전극반응속도 상수와 CV 주사속도 영향을 효과적으로 해석할 수 있었다.

치환 2-Phenylethyl arenesulfonate 류와 치환 피리딘류의 Menschutkin 형 반응에 관한 치환기 효과 (Substituent Effects for the Menschutkin-Type Reaction of Substituted 2-Phenylethyl arenesulfonates with Substituted Pyridines)

  • 여수동;김중협
    • 대한화학회지
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    • 제33권4호
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    • pp.413-418
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    • 1989
  • 치환 2-phenylethyl tosylate와 치환 피리딘을 아세토니트릴에서, 2-phenylethyl m-nitrobenzenesulfonate(2-PNS)와 치환 피리딘을 아세토니트릴과 메탄올 용매 중에서 각각 반응시켰다. 기질과 친핵체 다같이 전자를 미는 치환기는 반응속도를 증가시켰다. 이들 결과는 전이상태 변화를 예측하는 More O'Ferral과 양자역학적인 모델에서 결합 파괴가 결합형성보다 더 진전된 $S_N2$ 메카니즘으로 진행함을 보였다. 전이상태 변화는 양자 역학적인 모델의 예측이 실험치와 잘 일치하였고 이탈기에서는 More O'Ferral 도시가 잘 맞지 않았다. 2-PNS 와 피리딘류와의 반응에서는 아세토니트릴이 메탄올용매보다 반응이 빨랐다.

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Formation Mechanism of Intermediate Phase in $Ba(Mg_{1/3}Ta_{2/3})O_3$ Microwave Dielectrics

  • Fang, Yonghan;Oh, Young-Jei
    • 한국세라믹학회지
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    • 제38권10호
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    • pp.881-885
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    • 2001
  • Kinetics and mechanisms of intermediate phases formation in $Ba(Mg_{1/3}Ta_{2/3})O_3$, obtained by a solid state reaction were studied. $Ba{Ta_2}{O_6}$ and ${Ba_4}{Ta_2}{O_9}$ as intermediate products were first formed at $700^{\circ}C$. $Ba(Mg_{1/3}Ta_{2/3})O_3$ was appeared at $800^{\circ}C$. Several reactions take place on heating process. $Ba{Ta_2}{O_6}$ is found at the first stage of the reaction, and then $Ba{Ta_2}{O_6}$ or ${Ba_4}{Ta_2}{O_9}$ react with MgO to form $Ba(Mg_{1/3}Ta_{2/3})O_3$. The reaction of $Ba(Mg_{1/3}Ta_{2/3})O_3$ formation does not complete until fired at $1350^{\circ}C$ for 60 min. The kinetics of solid-state reaction between powdered reactants was controlled by diffusion mechanism, and can be explained by the Jander's model for three-dimensional diffusion.

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Effects of the Preheating Treatments of Raw Ginseng in the Model System on the Synthesis of the Maillard Type-Browning Reaction Products of Red Ginseng

  • Suzuki, Yukio;Choi, Kang-Ju;Uchida, Kei;Ko, Sung-Ryong
    • Journal of Ginseng Research
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    • 제28권3호
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    • pp.136-142
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    • 2004
  • During our investigations on the relationship between the browning reaction of ginseng root and two compounds (arginyl-fructosyl-glucose and arginyl-fructose) in the model system of steaming and heat-drying processes for the preparation of red ginseng, the preheating treatment of main roots of raw ginseng at 60∼70$^{\circ}C$ prior to the steaming and heat-drying processes was found to bring about the gelatinization of starch granules. The enzymatic hydrolysis of gelatinized starch to maltose, a marked formation of maltose, and the increase of both free arginine and total amino acids, resulting the acceleration of the Maillard type-browning reaction of ginseng root during the steaming and heat-drying processes, and the rise of brown color intensity of red ginseng. These results show that the preheating treatment may be effective for the decrease of inside white of red ginseng.

냉가스 추력기 시스템용 EM 제어기 및 점검 시스템 개발 (Development of Engineering Model for the Thruster Control Unit and Simulation system of the Reaction Control System)

  • 전상운;김지훈;정호락;최형돈
    • 항공우주기술
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    • 제5권2호
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    • pp.188-194
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    • 2006
  • 본 논문은 냉가스 추력기 시스템의 제어기로 사용되는 EM용 TCU(Thruster Control Unit)와 점검 시스템 개발에 관한 것이다. TCU는 추력기 시스템의 압력 및 온도를 모니터링하여 통신을 통해 이를 TLM(Telemet) 및 지상 제어 콘솔에 전달하는 역할을 수행한다. 이를 위해 CPU/통신보드는 MIL-STD-1553B 통신, RS422 통신, Data 입출력 및 처리 그리고 EEPROM 프로그램 로딩 기능을 수행한다. Intel 80386DX Microprocessor를 기반으로 설계하였으며 프로그램 저장 및 실행을 위해 256kbytes의 EEPROM과 256kbytes의 SRAM을 적용하였다. 또한 EEPROM 프로그램 로딩을 위해 인터페이스 회로 및 냉가스 추력기 시스템을 모사할 수 있는 점검 시스템을 개발하였다.

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