• Title/Summary/Keyword: Chemical Kinetics

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Investigation on the Prediction Performance of the Chemical Kinetics for the Numerical Simulation of MILD Combustion (마일드 연소장 수치계산을 위한 화학반응기구의 예측성능 검토)

  • Kim, Yu Jeong;Oh, Chang Bo
    • 한국연소학회:학술대회논문집
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    • 2012.11a
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    • pp.341-344
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    • 2012
  • The prediction performance of the chemical kinetics for the numerical simulation of MILD combustion was investigated. A wall-confined turbulent methane jet combustor was adopted as a configuration. Four chemical kinetics, such as a global 3-step, WD4, Skeletal, and DRM-19, were investigated, The air stream of the wall-confined MILD jet combustor was diluted with combustion products. It was found that the DRM-19 was optimal for the numerical simulation of the MILD combustion.

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Accumulation and Decay of Macroscopic Correlations in Elementary Reactions Kinetics

  • Doktorov, Alexander B.;Kipriyanov, Alexander A.;Kipriyanov, Alexey A.
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.941-952
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    • 2012
  • In the present contribution the Encounter Theory (ET) (the prototype of the classical Collision Theory in rarefied gases) concepts for widely occurring diffusion assisted irreversible bulk reactions A + A ${\rightarrow}$ C and A + B ${\rightarrow}$ C in liquid solutions examined by the authors in the literature are analyzed and compared with each other for these different types of reactions. It is shown that for a particular case of equal initial concentrations $[A]_0=[B]_0$ in the reaction A + B ${\rightarrow}$ C, when the kinetics of both reactions A + A ${\rightarrow}$ C and A + B ${\rightarrow}$ C in the framework of formal chemical kinetics and ET are the same, the accumulation of macroscopic correlations breaking the concepts of independent encounters and leading to the Generalized Encounter Theory (GET) are drastically different. The influence of the force interaction and the decay of nonstable reactants on the time behavior the macroscopic correlations is also briefly discussed.

Nonclassical Chemical Kinetics for Description of Chemical Fluctuation in a Dynamically Heterogeneous Biological System

  • Lim, Yu-Rim;Park, Seong-Jun;Lee, Sang-Youb;Sung, Jae-Young
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.963-970
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    • 2012
  • We review novel chemical kinetics proposed for quantitative description of fluctuations in reaction times and in the number of product molecules in a heterogeneous biological system, and discuss quantitative interpretation of randomness parameter data in enzymatic turnover times of ${\beta}$-galactosidase. We discuss generalization of renewal theory for description of chemical fluctuation in product level in a multistep biopolymer reaction occurring in a dynamically heterogeneous environment. New stochastic simulation results are presented for the chemical fluctuation of a dynamically heterogeneous reaction system, which clearly show the effects of the initial state distribution on the chemical fluctuation. Our stochastic simulation results are found to be in good agreement with predictions of the analytic results obtained from the generalized master equation.

The effect of chemical kinetics of slurry components on Cu CMP (화학반응속도가 Cu CMP에 미치는 영향)

  • Jung, Won-Duck;Chang, One-Moon;Park, Sung-Min;Jeong, Hae-Do
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2006.11a
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    • pp.372-373
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    • 2006
  • Chemical kinetics affects Cu CMP results (removal rate, Non uniformity etc.) Because Cu is removed by chemical action. Key factors in chemical kinetics are process temperature and concentration of slurry components. In this study, Hydrogen peroxide and citric acid were selected as a oxidant and a complexing agent and Slurry were made by mixing this components. In order to study effects of Chemical Kinetics, X-ray photoelectron spectroscopy (XPS) were performed on Cu sample after etching test as concentration of citric acid and slurry temperature. Finally Cu CMP was performed as same conditions.

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Transesterification of Dimethyl Terephthalate with Ethylene Glycol (Dimethyl terephthalate와 ethylene glycol의 에스테르 교환 반응)

  • Lee, Jinhong;Cho, Impyo;Jo, Sanhwan;Cho, Minjung;Han, Myungwan;Kang, Kyungsuk
    • Korean Chemical Engineering Research
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    • v.51 no.1
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    • pp.144-150
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    • 2013
  • The kinetics of the transesterification of dimethyl terephthalate (DMT) with ethylene glycol (EG) was studied in a batch reactor. Bishydroxyethyl terephthalate (BHET), which is poly(ethylene terephthalate) (PET) monomer, can be produced by the transesterification reaction. Zinc acetate was used as a catalyst. Previous kinetic studies was carried out in a semi-batch reactor where generated methanol was removed so that reverse reactions were not considered in the kinetic expressions, resulting in inaccuracy of the kinetic model. Mathematical models of a batch reactor for the tranesterification reaction were developed and used to characterize the reaction kinetics and the composition distribution of the reaction products. More accurate models than previous ones were obtained and found to have a good agreement between model predictions and experimental data. Effect of process variables on the esterification reaction was investigated based on the experimental and simulation results.

Kinetics of the Formation of Metalloporphyrins and the Catalytic Effect of Lead Ions and Hydrogen Ions

  • Qi, Yong;Pan, Ji Gang
    • Bulletin of the Korean Chemical Society
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    • v.35 no.11
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    • pp.3313-3318
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    • 2014
  • The reaction mechanism of Lead ions catalyzing complexation reactions between TIPP and metal ions was investigated by researching the kinetics of the formation of metalloporphyrins by UV/Vis-spectra, and verified by exploring the formation of metalloporphyrins catalyzed by acetic acid. Kinetics studies suggested that the fluctuations of reaction rate indicated the formation of metalloporphyrin was step-wise, including the pre-equilibrium step (the coordination of the pyrrolenine nitrogens to $Mn^+$) and the rate-controlling step (the deprotonation of the pyrrole proton). In the pre-equalization step, a sitting-atop (SAT) structure formed first with the complexation between larger radius of $Pb^{2+}$ and TIPP, changed the activation, then $Pb^{2+}$ left with the smaller radius of metal ions attacking from the back of the porphyrin ring center. In the rate-controlling step, two pyrrole protons dissociated to restore a stable structure. This was verified by adding acetic acid at different reaction times.

Kinetics of Enriched Chitinase as Extracellular Metabolite in Beauveria bassiana

  • Mondal, Subhoshmita;Datta, Siddhartha;Mukherjee, Alakananda;Bhattacharya, Pinaki
    • Microbiology and Biotechnology Letters
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    • v.47 no.1
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    • pp.96-104
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    • 2019
  • Beauveria bassiana, one of the most common entomopathogenic fungi, has been isolated, pre defined and characterized in-house from soil of tea cultivation area. Experiments have been performed to verify the presence of chitinase as intracellular metabolite and its release as extracellular product rendering the spores with biopesticide activity. Although there are many responsible enzymes for the pest killer action of B. bassiana, binding property of chitinase depending on presence as well as absence of serine supplemented in the media has been studied with respect to the production and kinetics. A programmed investigation conclusively indicates that the isolated spore (hyphae) of B. bassiana has been metabolically enriched with the enzyme chitinase in presence of an externally added amino acid serine with its inhibitory kinetics.