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Comparison of mechanisms for the direct, gas phase, partial oxidation of methane to methanol
Chemical Engineering Science ( IF 4.7 ) Pub Date : 2021-04-29 , DOI: 10.1016/j.ces.2021.116718
Evren M. Turan , Eric van Steen , Klaus P. Möller

Numerous mechanisms have been proposed for the direct, homogeneous, partial oxidation of methane to methanol system. No thorough comparison of them to experimental data, and to each other, has been reported. In this work six mechanisms are tested against over 200 operating points from published literature. All the examined mechanisms are found to be inaccurate, with the most accurate mechanism, MVedeneev,C1 (Arutyunov et al., 1996), having an average selectivity error of 17%. In addition, it was found that some mechanisms showed behaviour that was not observed in the literature and were deemed unsuitable for the reaction system. As such all of the available mechanisms do not adequately describe the gas phase methane to methanol system.



中文翻译:

甲烷直接,气相,部分氧化为甲醇的机理比较

已经提出了许多机制用于将甲烷直接,均质,部分氧化为甲醇系统。还没有报道将它们与实验数据以及彼此进行彻底的比较。在这项工作中,针对公开发表的文献中200多个工作点对6种机制进行了测试。发现所有检查的机制都不准确,其中最准确的机制是中号韦捷涅夫C1个(Arutyunov et al。,1996),平均选择性误差为17%。另外,发现某些机理显示出在文献中未观察到的行为,并且被认为不适用于反应系统。因此,所有可用的机理都不能充分描述气相甲烷制甲醇系统。

更新日期:2021-05-09
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