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| Kinetic simulation of oxidative coupling of methane over perovskite catalyst by genetic algorithm： Mechanistic aspects | |
| 作者单位： | Nastaran Razmi Farooji,Ali Vatani(Faculty of Engineering,University of Tehran,P.O.Box 11155-4563,Tehran,Iran);Shahrnaz Mokhtari(Iran Polymer and Petrochemical Institute,P.O.Box 14975/112,Tehran,Iran) |
| 摘 要： | The reaction kinetics of oxidative coupling of methane catalyzed by perovskite was studied in a fixed bed flow reactor. At atmospheric pressure, the reactions were carried out at 725, 750 and 775 ℃, inlet methane to oxygen ratios of 2 to 4.5 and gas hourly space velocity (GHSV) of 100 min-1. Correlation of the kinetic data has been performed with the proposed mechanisms. The selected equations have been regressed with experimental data accompanied by genetic algorithm (GA) in order to obtain optimized parameters. After investigation the Langmuir-Hinshelwood mechanism was selected as the best mechanism, and Arrhenius and adsorption parameters of this model were obtained by linear regression. In this research the Marquardt algorithm was also used and its results were compared with those of genetic algorithm. It should be noted that the Marquardt algorithm is sensitive to the selection of initial values and there is possibility to trap in a local minimum. |
| 关 键 词： | 钙钛矿型催化剂 甲烷氧化偶联 遗传算法 动力学模拟 Marquardt算法 Arrhenius Langmuir 动力学机制 |
| 收稿时间： | 2009-12-08 |
Kinetic simulation of oxidative coupling of methane over perovskite catalyst by genetic algorithm: Mechanistic aspects |
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| Nastaran Razmi Farooji,Ali Vatani,Shahrnaz Mokhtari. Kinetic simulation of oxidative coupling of methane over perovskite catalyst by genetic algorithm: Mechanistic aspects[J]. Journal of Natural Gas Chemistry, 2010, 19(4): 385-392. DOI: 10.1016/S1003-9953(09)60084-0 | |
| Authors: | Nastaran Razmi Farooji Ali Vatani Shahrnaz Mokhtari |
| Affiliation: | [1]Faculty of Engineering, University of Tehran, P. O. Box 11155-4563, Tehran, Iran [2]Iran Polymer and Petrochemical Institute, P. O. Box 14975/112, Tehran, Iran |
| Abstract: | The reaction kinetics of oxidative coupling of methane catalyzed by perovskite was studied in a fixed bed flow reactor.At atmospheric pressure,the reactions were carried out at 725,750 and 775℃,inlet methane to oxygen ratios of 2 to 4.5 and gas hourly space velocity(GHSV)of 100 min-1.Correlation of the kinetic data has been performed with the proposed mechanisms.The selected equations have been regressed with experimental data accompanied by genetic algorithm(GA)in order to obtain optimized parameters.After investigation the LangmuirHinshelwood mechanism was selected as the best mechanism,and Arrhenius and adsorption parameters of this model were obtained by linear regression.In this research the Marquardt algorithm was also used and its results were compared with those of genetic algorithm.It should be noted that the Marquardt algorithm is sensitive to the selection of initial values and there is possibility to trap in a local minimum. |
| Keywords: | oxidative coupling of methane(OCM) reaction mechanism kinetic model surface coverage genetic algorithm(GA) |
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