• Title/Summary/Keyword: Reaction Kinetics Model

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Evaluation of Chlorine Demand and Chlorine Decay Kinetics for Drinking Water (정수처리에서 염수요구량 및 반응거동에 관한 연구)

  • 이윤진;조관형;최종헌;명복태;남상호
    • Journal of Environmental Health Sciences
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    • v.27 no.1
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    • pp.27-35
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    • 2001
  • This aim of the work presented in this paper is to investigate the factors that affcet chlorine decay and to develop functional relationships that can be used to enhance the durability of network models. predictive relationships were established that correlated the rate of chlorine decay to the various water conditions such as DOC, N $H_3$-N, initial chlorine, contact time, temperature and pH values. Free chlorine residual decreased with increasing temperature, DOC, N $H_3$-N, reaction time and chlorine dose. At 2$0^{\circ}C$, pH 7, The initial chlorine demand per mg as DOC/L and mg as N $H_3$-N/L was about 0.43, 2.69 mg/$\ell$ respectively at 180 minutes contact time. The Reaction between chlorine and humic acids was lasted intil 48hr, but the reaction between chlorine and N $H_3$-N was almost completed in 180 min. When the temperature is raised by 1$0^{\circ}C$, chlorine is more consumed about 0.25 mg/$\ell$ in the absence of organic substances and it is more consumed about 3.4 mg/$\ell$ in the presence of humic acid (5 mg/$\ell$) in water at pH 7 for 180 min. Regression Analysis created the resulting prediction equation for the chlorine decay in a SPSS package of the computer system. The model is as follows; $C_{t}$=1.239+0.707(Co)-0.000529(Time)-0.0112(Temp)+0.02227(pH)-0.42(DOC)-2.132(N $H_3$-N).).

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Modeling and Performance Analysis of SCR $DeNO_X$ Catalyst for Reducing $NO_X$ Emissions in Diesel Engine (디젤엔진의 $NO_X$ 저감을 위한 SCR $DeNO_X$ 촉매의 모델링 및 성능해석)

  • Kim, Young-Deuk;Kim, Woo-Seung;Lee, Chun-Hwan
    • Transactions of the Korean Society of Automotive Engineers
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    • v.17 no.1
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    • pp.137-145
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    • 2009
  • The steady-state kinetics of the selective catalytic reduction (SCR) of $NO_X$ with $NH_3$ has been investigated over a commercial ${V_2}{O_5}/TiO_2$ catalyst. In order to account for the influence of transport effects the kinetics are coupled with a fully transient two-phase 1D+1D monolith channel model. The Langmuir-Hinshelwood (L-H) mechanism is adopted to describe the steady-state kinetic behavior of the ${V_2}{O_5}/TiO_2$ catalyst. The reaction rate expressions are based on previously reported papers and are modified to fit the experimental data. The steady-state chemical reaction scheme used in the present mathematical model has been validated extensively with experimental data of selective $NO_X$ reduction efficiency for a wide range of inlet conditions such as space velocity, oxygen concentrations, water concentration, and $NO_2/NO$ ratio. The parametric investigations are performed to examine how the $NH_3$ slip from a SCR $DeNO_X$ catalyst and the conversion of $NO_X$ are affected by the reaction temperature, $NH_3/NO_X$ feed ratio, and space velocity for feed gas compositions with $NO_2/NO_X$ ratios of 0 and 0.5.

Treatment Features of Ni Wastewater by using Coffee Grounds as the Adsorbent (커피 찌꺼기를 흡착제로 한 니켈 폐수 처리 특성)

  • Seo, Myung-Soon;Kim, Dong-Su
    • Journal of Korean Society on Water Environment
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    • v.21 no.1
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    • pp.14-20
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    • 2005
  • A feasibility study has been conducted regarding the application of waste coffee grounds as an adsorbent for the treatment of nickel ion containing wastewater. The major variables which considered to influence the adsorbability of nickel ion were its initial concentration, reaction temperature, pH, and coexisting ion. The specific surface area of coffee grounds used in the experiment was found to be ca. $39.67m^2/g$, which suggesting its potential applicability as an adsorbent due to its relatively high surface area. In the experimental conditions, more than 90% of the initial amount of nickel ion was shown to adsorb within 15 minutes and equilibrium in adsorption was attained after 3 hours. The adsorption behavior of nickel ion was well explained by Freundlich model and kinetics study showed that the adsorption reaction was second-order. Adsorption was reduced with temperature and its change of enthalpy in standard state was estimated to be -807.05 kJ/mol. Arrhenius equation was employed for the calculation of the activation energy of adsorption and nickel ion was observed to adsorb on coffee grounds exoentropically based on thermodynamic estimations. As pH rose, the adsorption of nickel ion was diminished presumably due to the formation of cuboidal complex with hydroxide ion and the coexistence of cadmium ion was found to decrease the amount of nickel ion adsorption, which was proportional to the concentration of cadmium ion.

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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    • v.9 no.5
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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 of Methyl Green Fading in the Presence of TX-100, DTAB and SDS

  • Samiey, Babak;Dalvand, Zeinab
    • Bulletin of the Korean Chemical Society
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    • v.34 no.4
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    • pp.1145-1152
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    • 2013
  • The rate constant of alkaline fading of methyl green ($ME^{2+}$) was measured in the presence of non ionic (TX-100), cationic (DTAB) and anionic (SDS) surfactants. $ME^{2+}$ hydrolyses and fades in neutral water and in this work we search the effects of surfactants on its fading rate. The rate of reaction showed remarkable dependence on the electrical charge of the used surfactants. It was observed that the reaction rate constant decreased in the presence of DTAB and SDS and increased in the presence of TX-100. Binding constants of $ME^{2+}$ to TX-100, DTAB and SDS and the related thermodynamic parameters were obtained by classical (or stoichiometric) model. The results show that binding of $ME^{2+}$ to TX-100 and DTAB are two-region and that of SDS is three-region. Also, the binding constants of $ME^{2+}$ to surfactant molecules in DTAB/TX-100 and SDS/TX-100 mixed solutions and their stoichiometric ratios were obtained.

Electronic structure and catalytic reactivity of model oxide catalysts

  • Kim, Yu-Gwon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.35-35
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    • 2010
  • Understanding the mechanistic details of heterogeneous catalytic reactions will provide a way to tune the selectivity between various competing reaction channels. In this regard, catalytic decomposition of alcohols over the rutile $TiO_2$(110) surface as a model oxide catalyst has been studied to understand the reaction mechanism employing the temperature-programmed desorption (TPD) technique. The $TiO_2$(110) model catalyst is found to be active toward alcohol dehydration. We find that the active sites are bridge-bonded oxygen vacancies where RO-H heterolytically dissociates and binds to the vacancy to produce alkoxy (RO-) and hydroxyl (HO-). Two protons adsorbed onto the bridge-bonded oxygen atoms (-OH) readily react with each other to form a water molecule at ~500 K and desorb from the surface. The alkoxy (RO-) undergoes decomposition at higher temperatures into the corresponding alkene. Here, the overall desorption kinetics is limited by a first-order decomposition of intermediate alkoxy (RO-) species bound to the vacancy. We show that detailed analysis on the yield and the desorption temperatures as a function of the alkyl substituents provides valuable insights into the reaction mechanism. After the catalytic role of the oxygen vacancies has been established, we employed x-ray photoelectron spectroscopy to further study the surface electronic structure related to the catalytically active defective sites. The defect-related state in valence band has been related to the chemically reduced $Ti^{3+}$ defects near the surface region and are found to be closely related to the catalytic activity of the $TiO_2$(110) surface.

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Catalytic Incineration Kinetics of Gaseous MEK and Toluene (MEK와 톨루엔의 촉매연소 속도특성)

  • 이재동
    • Journal of environmental and Sanitary engineering
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    • v.14 no.2
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    • pp.113-119
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    • 1999
  • In this study, the incineration of MEK and toluene was studied on a Pt supported alumina catalyst at temperature range from 200 to $350^{\circ}C$. An approach based on the Mars-van Krevelen rate model was used to explain the results. The object of this study was to study the kinetic behavior of the platinum catalyst for deep oxidation. The conversions of MEK and toluene were increased as the inlet concentration was decreased and the reaction temperature was increased. The maximum deep conversion of MEK and toluene were 91.81% and 55.69% at $350^{\circ}C$, respectively. The ${\kappa}_3$ constant increases with temperature faster than the ${\kappa}_1$ constant, that is, the surface concentration of ($VOCs{\cdots}O$) is higher than that of (O) at higher temperature according to the Mars-van Krevelen mechanism. Also the activation energy of toluene was larger than MEK for toluene is aromatic compound which have stronger bonding energy.Therefore, the catalytic incineration kinetics of MEK and toluene with Mars-van Krevelen mechanism could be used as the basic data for industrial processes.

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Effect of Slurry Property on Preparation of Zirconia Film in Electrophoretic Deposition (전착법에서 용액특성이 지르코니아 막형성에 미치는 영향)

  • 김상우;이병호;손용배;송휴섭
    • Journal of the Korean Ceramic Society
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    • v.36 no.9
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    • pp.991-996
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    • 1999
  • Effect of solution property on the weight varation and microstructural change of film was studied by electrophoretic deposition in order to obtain a homogeneous and dense zirconia film. As a result of weight kinetics of film which obtained in alcohol or aqueous solution having different polarity experimental data showed large deviation from theoretical ones calculated by Zhang's kinetic model. It had been shown that the weight affecting factors was largely dependent on properties other than dielectric constant and viscosity of solvent zeta potential appiled field and time. In initial stage a main factor of the drastic weight increase was the capillary drag of porous substrate. The cause of weight decrease with time in aqueous solution after 300 s was attributed to the defect of film by sagging and electrolytic reaction. The electrolyte film which prepared in alcohol solution with good wetting for substrate had better homogeneous and dense microstructure than one in aqueous solution with high surface tension.

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Kinetic Study on Dephosphorylation of Myelin Basic Protein by Some Protein Phosphates

  • 황인성;김진한;최명운
    • Bulletin of the Korean Chemical Society
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    • v.18 no.4
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    • pp.428-432
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    • 1997
  • The dephosphorylation specificity of protein phosphatase 2A (PP2A), calcineurin (PP2B) and protein phosphatase 2C (PP2C) were studied in vitro using myelin basic protein (MBP) as a model substrate which was fully phosphorylated at multiple sites by protein kinase C (PKC) or cyclic AMP-dependent protein kinase (PKA). In order to determine the site specificity of phosphates in myelin basic protein, the protein was digested with trypsin and the radioactive phosphopeptide fragments were isolated by high performance liquid chromatography (HPLC) on reversed-phase column. Subsequent analysis and/or sequential manual Edman degradation of the purified phosphopeptides revealed that Thr-65 and Ser-115 were most extensively phophorylated by PKA and Ser-55 by PKC. For the dephosphorylation kinetics, the phosphorylated MBP was treated with calcineurin or PP2C with various time intervals and the reaction was terminated by direct tryptic digest. Both Thr-65 and Ser-115 residues were dephosphorylated more rapidly than any other ones by phosphatases. However it can be differentiated further by first-order kinetics that the PP2B dephosphorylated both Thr-65 and Ser-115 with almost same manner, whereas PP2C dephosphorylated somewhat preferentially the Ser-115.

Computational Study of Intermetallic Reaction Propagation in Nanoscale Boron/Titanium Metallic Multilayers (보론/티타늄 나노박막다층 내 이종금속간 화학반응 전파특성 해석연구)

  • Kim, Kyoungjin;Park, Joong-Youn
    • Journal of the Korean Society of Propulsion Engineers
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    • v.21 no.3
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    • pp.10-17
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    • 2017
  • The analytical modeling has been established on the self-propagation of intermetallic reaction in the spanwise direction of highly reactive boron and titanium nanoscale multilayers. Assuming that the reaction obeys Arrhenius kinetics, two-dimensional computations are carried out for heat and atomic species diffusion with exothermic reaction model in order to simulate the self-propagation of intermetallic reaction. The effects of bimetallic layer thickness and thickness ratio on the reaction propagation speed are tested and discussed in addition to the assessment of pre-mixing zone effects.