• 제목/요약/키워드: chemical kinetics

검색결과 1,364건 처리시간 0.031초

예조건화 시간차분을 통한 화학반응유동의 효율적 계산 (A Preconditioned Time Method for Efficient Calculation of Reactive Flow)

  • 김성룡;정인석;최정열
    • 한국연소학회:학술대회논문집
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    • 한국연소학회 1999년도 제19회 KOSCO SYMPOSIUM 논문집
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    • pp.219-230
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    • 1999
  • The Equations of Chemical kinetics are very stiff, which forces the use of an implicit scheme. The problem of implicit scheme, however, is that the jacobian must be solved at each time step. In this paper, we examined the methodology that can be stable without full chemical jacobian, This method is derived by applying the different time steps to the chemical source term. And the lower triangular chemical jacobian is derived. This is called the preconditioned time differencing method and represents partial implicit method. We show that this method is more stable in chemical kinetics than the full implicit method and that this is more efficient in supersonic combustion problem than the full jacobian method with same accuracy.

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Photocatalytic Reduction of Hexavalent Chromium Induced by Photolysis of Ferric/tartrate Complex

  • Feng, Xianghua;Ding, Shimin;Zhang, Lixian
    • Bulletin of the Korean Chemical Society
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    • 제33권11호
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    • pp.3691-3695
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    • 2012
  • Photocatalytic reduction of hexavalent chromium (Cr(VI)) in ferric-tartrate system under irradiation of visible light was investigated. Effects of light resources, initial pH value and initial concentration of various reactants on Cr(VI) photocatalytic reduction were studied. Photoreaction kinetics was discussed and a possible photochemical pathway was proposed. The results indicate that Fe(III)-tartrate system is able to rapidly and effectively photocatalytically reduce Cr(VI) utilizing visible light. Initial pH variations resulte in the concentration changes of Fe(III)-tartrate complex in this system, and pH at 3.0 is optimal for Cr(VI) photocatalytic reduction. Efficiency of Cr(VI) photocatalytic reduction increases with increasing initial concentrations of Cr(VI), Fe(III) and tartrate. Kinetics analysis indicates that initial Fe(III) concentration affects Cr(VI) photoreduction most significantly.

The Kinetics and Mechanism for the Oxidation of Nicotinic Acid by Peroxomonosulfate in Acidic Aqueous Medium

  • Agrawal, Anju;Sailani, Riya;Gupta, Beena;Khandelwal, C.L.;Sharma, P.D.
    • 대한화학회지
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    • 제56권2호
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    • pp.212-216
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    • 2012
  • The kinetics of oxidation of nicotinic acid by peroxomonosulfate (PMS) has been studied in acetate buffers. Stoichiometry of the reaction corresponds to the reaction of one mole of the oxidant with a mole of nicotinic acid. N${\rightarrow}$O product has been confirmed both by UV visible and IR spectroscopy. The reaction is second order viz. first order with respect to each reactant. Activation parameters have also been evaluated. A plausible reaction mechanism is mentioned and the derived kinetic rate law accounts for experimental observations.

Diffusion-Influenced Kinetics of Reactions Involving Polymers

  • Sung, Jae-Young;Park, Pyeong-Jun;Lee, Jin-Uk;Lee, Woo-Jin;Kim, Ji-Hyun;Lee, Sang-Youb
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.843-852
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    • 2003
  • We present a brief account of the theory of diffusion-influenced kinetics of reactions involving polymers. The review will be based on the recent contributions from the authors. Both intrapolymer and interpolymer reactions are considered, and the effects of various physical factors, such as the chain length, chain stiffness, and hydrodynamic interactions, are described within a unified theoretical framework.

Analysis of Kinetic Data of Pectinases with Substrate Inhibition

  • Gummadi, Sathyanarayana-N.;Panda, T.
    • Journal of Microbiology and Biotechnology
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    • 제13권3호
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    • pp.332-337
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    • 2003
  • Enzyme kinetics data play a vital role in the design of reactors and control of processes. In the present study, kinetic studies on pectinases were carried out. Partially purified polymethylgalacturonase (PMG) and polygalacturonase (PG) were the two pectinases studied. The plot of initial rate vs. initial substrate concentration did not follow the conventional Michaelis-Menten kinetics, but substrate inhibition was observed. For PMG, maximum rate was attained at an initial pectin concentration of 3 g/l, whereas maximum rate was attained when the initial substrate concentration of 2.5 g/l of polygalacturonic acid for PG I and PG II. The kinetic data were fitted to five different kinetic models to explain the substrate inhibition effect. Among the five models tested, the combined mechanism of protective diffusion limitation of both high and inhibitory substrate concentrations (semi-empirical model) explained the inhibition data with 96-99% confidence interval.

Study of Kinetics of Bromophenol Blue Fading in Alcohol-Water Binary Mixtures by SESMORTAC Model

  • Samiey, Babak;Alizadeh, Kamal;Mousavi, Mir Fazlolah;Alizadeh, Nader
    • Bulletin of the Korean Chemical Society
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    • 제26권3호
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    • pp.384-392
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    • 2005
  • Solvent effects on the kinetics of bromophenol blue fading have been investigated within a temperature range in binary mixtures of methanol, ethanol, 1-propanol, ethylene glycol and 1,2-propanediol with water of varying solvent compositions up to 40% by weight of organic solvent component. Correlation of logk with reciprocal of the dielectric constant was linear. Finally a mechanism was proposed for the bromophenol blue fading upon SESMORTAC (study of effect of solvent mixture on the one-step reaction rates using the transition state theory and cage effect) model, by means of this model, the fundamental rate constants of the fading reaction in these solvent systems were calculated.

合成基質 N-Carbobenzoxy-L-glutamyl-L-tyrosine의 Pepsin 加水分解反應의 分光光度法에 依한 速度論的 硏究 (The Kinetics of the Pepsin-Catalyzed Hydrolysis of N-Carbobenzoxy-L-Glutamyl-L-Tyrosine by Determination of the Spectrophotometer)

  • 신홍대
    • 대한화학회지
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    • 제14권2호
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    • pp.155-160
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    • 1970
  • The kinetics of the pepsin-catalyzed hydrolysis of N-carbobenzoxy-L-glutamyl-L-tyrosine at pH 3.5 and $37^{\circ}C$ were determined by a spectrophotometric technique. The pepsin used was further purified on a Sephadex G-75 column. The kinetics data were Km = l.7 ${\times}10^{-3}M,\;-{\Delta}F^{\circ}$ = 3.99Kcal/mole, and $k^3=\;2.1{\times}10^{-2}\;sec^{-1}$. An analysis of the above data and other investigators' data obtained from some dipeptides led to the following conclusions. (1) Phenylalanyl residues in a synthetic peptide are bound to pepsin more strongly than glutamyl or tyrosyl residues, supporting the theory that a part of the binding region of the active center is hydrophobic. (2) Dipeptides are bound to pepsin principally through their side chains and the binding involves both side-chain residues. (3) The nature of amino acids in dipeptides $R_2-R_1,\;affect\;the\;k_3$ values.

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황산 용액에서 Al 산화피막의 생성과정 연구 (Investigation of the Growth Kinetics of Al Oxide Film in Sulfuric Acid Solution)

  • 천정균;김연규
    • 대한화학회지
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    • 제54권4호
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    • pp.380-386
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    • 2010
  • 황산 용액에서 양극산화(anodization)에 의하여 생성되는 산화피막의 생성과정(growth kinetics)과 이 피막의 전기적 성질을 전기화학적 임피던스 측정법(electrochemical impedance spectroscopy)으로 조사하였다. 산화피막은 $Al_2O_3$로 점-결함 모형(point defect model)에 따라 성장하였으며, n-형 반도체의 전기적 성질을 보였다.

Kinetics and Mechanism of Electron Transfer Reaction: Oxidation of Sulfanilic Acid by N-Chloro-p-Toluene Sulfonamide in Acid Perchlorate Medium

  • Sailani, Riya;Bhasin, Meneka;Khandelwal, C.L.;Sharma, P.D.
    • Bulletin of the Korean Chemical Society
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    • 제35권1호
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    • pp.111-116
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    • 2014
  • The kinetics and mechanism of oxidation of sulfanilic acid by N-chloro-p-toluene sulfonamide (chloramine-T) have been studied in acid medium. The species of chloramine-T were analysed on the basis of experimental observations and predominantly reactive species was taken into account for proposition of most plausible reaction mechanism. The derived rate law (1) conforms to such a mechanism. $$-\frac{d[CAT]}{dt}=\frac{kK_1[RNHCl][SA]}{K_1+[H^+]}$$ (1) All kinetic parameters were evaluated. Activation parameters such as energy and entropy of activation were calculated to be $(61.67{\pm}0.47)kJmol^{-1}$ and $(-62.71{\pm}2.48)kJmol^{-1}$ respectively employing Eyring equation.

광학적 색상 분석을 이용한 고농도 시료의 농도 및 반응 속도 측정법 (Measurement of Concentration of Highly Concentrated Samples and Reaction Kinetics through Color Analysis)

  • 이은아;장지웅
    • 공업화학
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    • 제34권2호
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    • pp.131-136
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    • 2023
  • 가시광선 영역에서 빛을 흡수하는 고농도 시료의 농도를 색상 좌표 값을 이용해 측정하는 법을 개발하였다. 이성분계 고농도 시료와 색상 좌표 사이의 관계식을 실험식으로 구하고 Resazurin에서 Resorufin으로의 촉매 반응 속도를 평가하였다. 제시한 방법은 자외선가시광선분광법에서 비선형적으로 측정범위 한계를 넘어선 영역의 농도를 시료를 희석하지 않고 직접 측정할 수 있다.