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Journal articles on the topic 'Modeling study of the kinetics of oxidation'

Author: Grafiati

Published: 4 June 2021

Last updated: 4 February 2022

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1

Wang, Zhandong, Long Zhao, Yu Wang, et al. "Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study." Combustion and Flame 162, no. 7 (2015): 2873–92. http://dx.doi.org/10.1016/j.combustflame.2015.03.017.

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2

Erim Köse, Y. "Kinetic modeling of oxidation parameters and activities of lipase-lipoxygenase in wheat germ oil." Grasas y Aceites 72, no. 3 (2021): e423. http://dx.doi.org/10.3989/gya.0554201.

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This study aimed to investigate the oxidation profile of wheat germ oil extracted from raw germ during the stabilization with microwave (MW) treatment, and the kinetics of the oxidation parameters (free fatty acids (FFA), peroxide value (PV), thiobarbituric acid (TBA), α-tocopherol, lipase (LA) and lipoxygenase (LOX) enzymes activities) under different storage conditions. For stabilizing raw germ, the MW was treated at 700 W for three minutes. The oxidation parameters for the kinetic modeling were analyzed at different storage times (0, 15, 30, 45, 60,75, 90, and 105. days) and storage tempera

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3

DAGAUT, PHILIPPE, MICHEL CATHONNET, and JEAN-CLAUDE BOETTNER. "Propyne Oxidation: A Kinetic Modeling Study." Combustion Science and Technology 71, no. 1-3 (1990): 111–28. http://dx.doi.org/10.1080/00102209008951627.

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4

Johnson, Praise Noah, Marco Lubrano Lavadera, Alexander A. Konnov, and Krithika Narayanaswamy. "Oxidation kinetics of methyl crotonate: A comprehensive modeling and experimental study." Combustion and Flame 229 (July 2021): 111409. http://dx.doi.org/10.1016/j.combustflame.2021.111409.

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5

DAGAUT, PHILIPPE, JEAN-CLAUDE BOETTNER, and MICHEL CATHONNET. "Methane Oxidation: Experimental and Kinetic Modeling Study." Combustion Science and Technology 77, no. 1-3 (1991): 127–48. http://dx.doi.org/10.1080/00102209108951723.

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6

Kordkandi, Salman Alizadeh, and Rasoul Ashiri. "Modeling and kinetics study of acid anthraquinone oxidation using ozone: energy consumption analysis." Clean Technologies and Environmental Policy 17, no. 8 (2015): 2431–39. http://dx.doi.org/10.1007/s10098-015-0967-0.

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7

Heufer, K. Alexander, S. Mani Sarathy, Henry J. Curran, Alexander C. Davis, Charles K. Westbrook, and William J. Pitz. "Detailed Kinetic Modeling Study of n-Pentanol Oxidation." Energy & Fuels 26, no. 11 (2012): 6678–85. http://dx.doi.org/10.1021/ef3012596.

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8

Dagaut, Philippe, Jean-Claude Boettner, and Michel Cathonnet. "Ethylene pyrolysis and oxidation: A kinetic modeling study." International Journal of Chemical Kinetics 22, no. 6 (1990): 641–64. http://dx.doi.org/10.1002/kin.550220608.

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9

Dagaut, Philippe, Jean-Claude Boettner, and Michel Cathonnet. "Ethylene pyrolysis and oxidation: A kinetic modeling study." International Journal of Chemical Kinetics 22, no. 12 (1990): 1303–6. http://dx.doi.org/10.1002/kin.550221208.

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10

Solis, Kurt L. B., Go-un Nam, and Yongseok Hong. "Mercury(II) reduction and sulfite oxidation in aqueous systems: kinetics study and speciation modeling." Environmental Chemistry 14, no. 3 (2017): 151. http://dx.doi.org/10.1071/en16169.

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Environmental contextWastewater contains various substances such as sulfur-containing chemicals and heavy metals including mercury ions. Several technologies have been developed to trap mercury ions; however, mercury can undergo reactions with sulfite and change to its vapour form, which easily escapes to the atmosphere. Here, we devised a model to predict the formation of vapour-phase mercury as a function of sulfite concentration, temperature and water acidity based on coal-fired power plant wastewater. AbstractThe re-emission of mercury (Hg) as a consequence of the formation and dissociatio

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11

Eggleston, Carrick M., Jean-Jacques Ehrhardt, and Werner Stumm. "Surface structural controls on pyrite oxidation kinetics; an XPS-UPS, STM, and modeling study." American Mineralogist 81, no. 9-10 (1996): 1036–56. http://dx.doi.org/10.2138/am-1996-9-1002.

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12

Zhang, Jiaxiang, Lun Pan, Zihang Zhang, Jun Mo, and Zuohua Huang. "Shock Tube and Kinetic Modeling Study of Isobutanal Oxidation." Energy & Fuels 27, no. 5 (2013): 2804–10. http://dx.doi.org/10.1021/ef302164n.

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13

Metcalfe, W. K., S. Dooley, and F. L. Dryer. "Comprehensive Detailed Chemical Kinetic Modeling Study of Toluene Oxidation." Energy & Fuels 25, no. 11 (2011): 4915–36. http://dx.doi.org/10.1021/ef200900q.

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14

Davis, S. G., C. K. Law, and H. Wang. "An experimental and kinetic modeling study of propyne oxidation." Symposium (International) on Combustion 27, no. 1 (1998): 305–12. http://dx.doi.org/10.1016/s0082-0784(98)80417-7.

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15

Hamadi, Farida, El Hachemi Amara, Djamila Bennaceur-Doumaz, et al. "Modeling of Titanium Oxide Layer Growth Produced by Fiber Laser Beam." Defect and Diffusion Forum 336 (March 2013): 11–18. http://dx.doi.org/10.4028/www.scientific.net/ddf.336.11.

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In this paper, we study the oxidation process during the heating of a titanium metallic surface by a Nd-YAG fiber pulsed laser beam under air environment. For this, we adopted an approach that considers a three-dimensional heat diffusion model coupled with an oxidation parabolic law (oxidation kinetics). The heat diffusion equation solved numerically, gives the temperature field. The oxide film growth is simulated by implementing a dynamic mesh technique. We developed computational procedures UDFs (User Defined Function) running interactively with the Fluent fluid dynamics software [ that impl

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16

Ramgobin, Aditya, Gaëlle Fontaine, and Serge Bourbigot. "A Case Study of Polyetheretherketone (II): Playing with Oxygen Concentration and Modeling Thermal Decomposition of a High-Performance Material." Polymers 12, no. 7 (2020): 1577. http://dx.doi.org/10.3390/polym12071577.

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Kinetic decomposition models for the thermal decomposition of a high-performance polymeric material (polyetheretherketone, PEEK) were determined from specific techniques. Experimental data from thermogravimetric analysis (TGA) and previously elucidated decomposition mechanisms were combined with a numerical simulating tool to establish a comprehensive kinetic model for the decomposition of PEEK under three atmospheres: nitrogen, 2% oxygen, and synthetic air. Multistepped kinetic models with subsequent and competitive reactions were established by taking into consideration the different types o

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17

Dagaut, Philippe, Alain Ristori, Alessio Frassoldati, Tiziano Faravelli, Guillaume Dayma, and Eliseo Ranzi. "Experimental Study of Tetralin Oxidation and Kinetic Modeling of Its Pyrolysis and Oxidation." Energy & Fuels 27, no. 3 (2013): 1576–85. http://dx.doi.org/10.1021/ef4001456.

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18

Kovalyov, E. V., E. M. Sadovskaya, V. V. Aver’yanova, and B. S. Bal’zhinimaev. "The effect of carbon monoxide on the oxidation of propane over a glass fiber based platinum catalyst." Kataliz v promyshlennosti 1, no. 1-2 (2021): 41–46. http://dx.doi.org/10.18412/1816-0387-2021-1-2-41-46.

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Deep oxidation of hydrocarbons over platinum catalysts underlies the majority of processes for purification of industrial waste gases. Since waste gases usually contain carbon monoxide, it is important to investigate its effect on the oxidation kinetics of hydrocarbons. This paper considers results of the study on the oxidation kinetics of propane over a glass fiber platinum catalyst in the presence or absence of CO in the reaction mixture. It was found that at low temperatures the presence of CO strongly hinders the oxidation of propane, whereas upon temperature elevation this detrimental eff

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19

Dagaut, P., and K. Hadj Ali. "Kinetics of oxidation of a LPG blend mixture in a JSR: experimental and modeling study☆." Fuel 82, no. 5 (2003): 475–80. http://dx.doi.org/10.1016/s0016-2361(02)00335-6.

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20

Norton, T. S., and F. L. Dryer. "An experimental and modeling study of ethanol oxidation kinetics in an atmospheric pressure flow reactor." International Journal of Chemical Kinetics 24, no. 4 (1992): 319–44. http://dx.doi.org/10.1002/kin.550240403.

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21

Dagaut, P., M. Cathonnet, B. Aboussi, and JC Boettner. "Allene oxidation in jet-stirred reactor : a kinetic modeling study." Journal de Chimie Physique 87 (1990): 1159–72. http://dx.doi.org/10.1051/jcp/1990871159.

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22

Alzueta, Maria U., Peter Glarborg, and Kim Dam-Johansen. "Experimental and kinetic modeling study of the oxidation of benzene." International Journal of Chemical Kinetics 32, no. 8 (2000): 498–522. http://dx.doi.org/10.1002/1097-4601(2000)32:8<498::aid-kin8>3.0.co;2-h.

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23

Serinyel, Z., N. Chaumeix, G. Black, J. M. Simmie, and H. J. Curran. "Experimental and Chemical Kinetic Modeling Study of 3-Pentanone Oxidation." Journal of Physical Chemistry A 114, no. 46 (2010): 12176–86. http://dx.doi.org/10.1021/jp107167f.

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24

DAGAUT, P., and M. CATHONNET. "Isobutene Oxidation and Ignition: Experimental and Detailed Kinetic Modeling Study." Combustion Science and Technology 137, no. 1-6 (1998): 237–75. http://dx.doi.org/10.1080/00102209808952053.

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25

Zhang, Kuiwen, Colin Banyon, Casimir Togbé, Philippe Dagaut, John Bugler, and Henry J. Curran. "An experimental and kinetic modeling study of n -hexane oxidation." Combustion and Flame 162, no. 11 (2015): 4194–207. http://dx.doi.org/10.1016/j.combustflame.2015.08.001.

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26

Kim, Young-Deuk, Soo-Jin Jeong, and Woo-Seung Kim. "An Experimental and Modeling Study on the Oxidation Kinetics of Nitric Oxide over Platinum-based Catalysts." Transactions of the Korean Society of Automotive Engineers 20, no. 5 (2012): 71–80. http://dx.doi.org/10.7467/ksae.2012.20.5.071.

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27

Lee, Changyoul, Stijn Vranckx, Karl A. Heufer, et al. "On the Chemical Kinetics of Ethanol Oxidation: Shock Tube, Rapid Compression Machine and Detailed Modeling Study." Zeitschrift für Physikalische Chemie 226, no. 1 (2012): 1–28. http://dx.doi.org/10.1524/zpch.2012.0185.

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28

Dagaut, Philippe, and Casimir Togbé. "Oxidation kinetics of butanol–gasoline surrogate mixtures in a jet-stirred reactor: Experimental and modeling study." Fuel 87, no. 15-16 (2008): 3313–21. http://dx.doi.org/10.1016/j.fuel.2008.05.008.

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29

YAHYAOUI, M., N. DJEBAILICHAUMEIX, P. DAGAUT, C. PAILLARD, and S. GAIL. "Kinetics of 1-hexene oxidation in a JSR and a shock tube: Experimental and modeling study." Combustion and Flame 147, no. 1-2 (2006): 67–78. http://dx.doi.org/10.1016/j.combustflame.2006.07.011.

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30

Li, Qingxun, Tiefeng Wang, Yefei Liu, and Dezheng Wang. "Experimental study and kinetics modeling of partial oxidation reactions in heavily sooting laminar premixed methane flames." Chemical Engineering Journal 207-208 (October 2012): 235–44. http://dx.doi.org/10.1016/j.cej.2012.06.093.

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31

Zhiltsova., Tatiana, Nelson Martins, Mariana R. F. Silva, et al. "Experimental and Computational Analysis of NOx Photocatalytic Abatement Using Carbon-Modified TiO2 Materials." Catalysts 10, no. 12 (2020): 1366. http://dx.doi.org/10.3390/catal10121366.

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In the present study, two photocatalytic graphene oxide (GO) and carbon nanotubes (CNT) modified TiO2 materials thermally treated at 300 °C (T300_GO and T300_CNT, respectively) were tested and revealed their conversion efficiency of nitrogen oxides (NOx) under simulated solar light, showing slightly better results when compared with the commercial Degussa P25 material at the initial concentration of NOx of 200 ppb. A chemical kinetic model based on the Langmuir–Hinshelwood (L-H) mechanism was employed to simulate micropollutant abatement. Modeling of the fluid dynamics and photocatalytic oxida

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32

Li, Liang, Yuanxing Huang, Yan Liu, and Yangyang Li. "Electrolytic removal of ammonia from aqueous phase by Pt/Ti anode." Water Science and Technology 67, no. 11 (2013): 2451–57. http://dx.doi.org/10.2166/wst.2013.110.

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This study investigated the mechanism and kinetic modeling of electrolytic degradation of ammonia with Pt/Ti anode. The results show that ammonia oxidation from direct oxidation or indirect oxidation with hydroxyl radicals was slow but can be observed under pH 9 and high initial ammonia concentration of 1,050 mg N L−1. Indirect oxidation with HOCl was the mechanism for the chloride-mediated electrolytic removal of ammonia. In this process, pH between 3 and 9 had little effect on the ammonia removal rate, but current density (j) and chloride concentration ([Cl−]) showed a linear relationship wi

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33

Lopez, Jorge Gimenez, Christian Lund Rasmussen, Maria U. Alzueta, Yide Gao, Paul Marshall, and Peter Glarborg. "Experimental and kinetic modeling study of C2H4 oxidation at high pressure." Proceedings of the Combustion Institute 32, no. 1 (2009): 367–75. http://dx.doi.org/10.1016/j.proci.2008.06.188.

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34

Dayma, Guillaume, Sandro Gaïl, and Philippe Dagaut. "Experimental and Kinetic Modeling Study of the Oxidation of Methyl Hexanoate." Energy & Fuels 22, no. 3 (2008): 1469–79. http://dx.doi.org/10.1021/ef700695j.

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35

Eldeeb, Mazen A., Shirin Jouzdani, Zhandong Wang, S. Mani Sarathy, and Benjamin Akih-Kumgeh. "Experimental and Chemical Kinetic Modeling Study of Dimethylcyclohexane Oxidation and Pyrolysis." Energy & Fuels 30, no. 10 (2016): 8648–57. http://dx.doi.org/10.1021/acs.energyfuels.6b00879.

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36

Dagaut, P., A. Ristori, A. El Bakali, and M. Cathonnet. "Experimental and kinetic modeling study of the oxidation of n-propylbenzene." Fuel 81, no. 2 (2002): 173–84. http://dx.doi.org/10.1016/s0016-2361(01)00139-9.

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37

Faravelli, T., A. Goldaniga, L. Zappella, E. Ranzi, P. Dagaut, and M. Cathonnet. "An experimental and kinetic modeling study of propyne and allene oxidation." Proceedings of the Combustion Institute 28, no. 2 (2000): 2601–8. http://dx.doi.org/10.1016/s0082-0784(00)80678-5.

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38

DAGAUT, PHILIPPE, MICHEL CATHONNET, and JEAN-CLAUDE BOETTNER. "A Kinetic Modeling Study of Propene Oxidation in JSR and Flame." Combustion Science and Technology 83, no. 4-6 (1992): 167–85. http://dx.doi.org/10.1080/00102209208951830.

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39

Wang, Hongyan, Zhiqiang Liu, Siyuan Gong, et al. "Experimental and kinetic modeling study on 1,3-cyclopentadiene oxidation and pyrolysis." Combustion and Flame 212 (February 2020): 189–204. http://dx.doi.org/10.1016/j.combustflame.2019.10.032.

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40

Zhang, Jiaxiang, Lun Pan, Jun Mo, Jing Gong, Zuohua Huang, and Chung K. Law. "A shock tube and kinetic modeling study of n-butanal oxidation." Combustion and Flame 160, no. 9 (2013): 1541–49. http://dx.doi.org/10.1016/j.combustflame.2013.04.002.

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41

Zhang, Kuiwen, Colin Banyon, John Bugler, et al. "An updated experimental and kinetic modeling study of n-heptane oxidation." Combustion and Flame 172 (October 2016): 116–35. http://dx.doi.org/10.1016/j.combustflame.2016.06.028.

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42

Mzé-Ahmed, A., K. Hadj-Ali, P. Diévart, and P. Dagaut. "Kinetics of Oxidation of a Synthetic Jet Fuel in a Jet-Stirred Reactor: Experimental and Modeling Study." Energy & Fuels 24, no. 9 (2010): 4904–11. http://dx.doi.org/10.1021/ef100751q.

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43

Koh, Choon-Seok, and John B. Butt. "Experimental and Modeling Study of Kinetics and Selectivity in the Oxidation of a Poly(.alpha.-olefin) Lubricant." Industrial & Engineering Chemistry Research 34, no. 2 (1995): 524–35. http://dx.doi.org/10.1021/ie00041a013.

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44

Stagni, Alessandro, Carlo Cavallotti, Suphaporn Arunthanayothin, et al. "An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia." Reaction Chemistry & Engineering 5, no. 4 (2020): 696–711. http://dx.doi.org/10.1039/c9re00429g.

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45

Manhas, Neeraj, Quynh V. Duong, Pilhwa Lee, et al. "Computationally modeling mammalian succinate dehydrogenase kinetics identifies the origins and primary determinants of ROS production." Journal of Biological Chemistry 295, no. 45 (2020): 15262–79. http://dx.doi.org/10.1074/jbc.ra120.014483.

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Succinate dehydrogenase (SDH) is an inner mitochondrial membrane protein complex that links the Krebs cycle to the electron transport system. It can produce significant amounts of superoxide (O2·¯) and hydrogen peroxide (H2O2); however, the precise mechanisms are unknown. This fact hinders the development of next-generation antioxidant therapies targeting mitochondria. To help address this problem, we developed a computational model to analyze and identify the kinetic mechanism of O2·¯ and H2O2 production by SDH. Our model includes the major redox centers in the complex, namely FAD, three iron

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46

Song, Dean, Rongning Liang, Xiaohua Jiang, et al. "Modeling the response of a control-released ion-selective electrode and employing it for the study of permanganate oxidation kinetics." Analytical Methods 10, no. 4 (2018): 467–73. http://dx.doi.org/10.1039/c7ay02735d.

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47

Li, Songfeng, Chunhua Zhang, Ao Zhou, et al. "Experimental and kinetic modeling study for N2O formation of NH3-SCR over commercial Cu-zeolite catalyst." Advances in Mechanical Engineering 13, no. 4 (2021): 168781402110106. http://dx.doi.org/10.1177/16878140211010648.

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In this paper, a systematic experimental and kinetic model investigation was conducted over Cu-SSZ-13 catalyst to study the DeNOx efficiency and N2O formation for selective catalytic reduction of NOx with NH3 (NH3-SCR). The kinetic model was developed for various reactions to take place in the NH3-SCR system, including NH3 adsorption/desorption, NH3 oxidation, NO oxidation, standard SCR, fast SCR, slow SCR and N2O formation reactions. In addition, the reaction of N2O formation from NH3 non-selective oxidation was taken into account. All the experiments were performed in a flow reactor with a f

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48

Pieper, Julia, Christian Hemken, Rene Büttgen, et al. "A high-temperature study of 2-pentanone oxidation: experiment and kinetic modeling." Proceedings of the Combustion Institute 37, no. 2 (2019): 1683–90. http://dx.doi.org/10.1016/j.proci.2018.05.039.

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49

Oehlschlaeger, Matthew A., Hsi-Ping S. Shen, Alessio Frassoldati, Sauro Pierucci, and Eliseo Ranzi. "Experimental and Kinetic Modeling Study of the Pyrolysis and Oxidation of Decalin." Energy & Fuels 23, no. 3 (2009): 1464–72. http://dx.doi.org/10.1021/ef800892y.

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50

Li, Ke, Mihaela I. Stefan, and John C. Crittenden. "Trichloroethene Degradation by UV/H2O2Advanced Oxidation Process: Product Study and Kinetic Modeling." Environmental Science & Technology 41, no. 5 (2007): 1696–703. http://dx.doi.org/10.1021/es0607638.

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