Numerical Simulation of Oxidative Conversion of Methane to Synthesis Gas in a Reversed Flow Reactor

IF 1.4 4区 化学 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Russian Journal of Physical Chemistry B Pub Date : 2024-09-11 DOI:10.1134/S199079312470057X
S. S. Kostenko, A. N. Ivanova, A. A. Karnaukh, E. V. Polianczyk
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Abstract

A numerical model for the POX steam-oxygen conversion of methane to synthesis gas in a reversed flow nonpremixed filtration combustion reactor with a reversed flow of a steam-methane mixture and a continuous supply of oxygen to the center of the reactor is carried out. The calculations were performed for the oxygen/methane molar ratio of 0.47 and steam/methane molar ratio of 0.5, in the parametric region close to the limit for the feasibility of the scheme. Various modes of initiation and control of flow reversal are considered, and dependences of the combustion temperature and the composition of products on the characteristics of the process are obtained. A comparison of the established cyclic mode of conversion with the predictions of the equilibrium model shows that the kinetic constraints lead to a higher combustion temperature and incomplete conversion of methane. At high temperatures, the conversion proceeds via the initial soot formation during the pyrolysis of methane and the subsequent reaction of soot with steam.

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反向流反应器中甲烷氧化转化为合成气的数值模拟
摘要 在反向流非预混合过滤燃烧反应器中,蒸汽-甲烷混合物反向流动,氧气持续供应到反应器中心,对甲烷到合成气的 POX 蒸汽-氧气转化进行了数值模拟。氧气/甲烷摩尔比为 0.47,蒸汽/甲烷摩尔比为 0.5,在接近方案可行性极限的参数区域内进行了计算。考虑了各种启动和控制逆流的模式,并得出了燃烧温度和产物成分对工艺特征的依赖关系。将已建立的循环转化模式与平衡模型的预测进行比较后发现,动力学限制导致燃烧温度升高和甲烷的不完全转化。在高温下,转化是通过甲烷热解过程中最初形成的烟尘以及随后烟尘与蒸汽的反应进行的。
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来源期刊
Russian Journal of Physical Chemistry B
Russian Journal of Physical Chemistry B 化学-物理:原子、分子和化学物理
CiteScore
2.20
自引率
71.40%
发文量
106
审稿时长
4-8 weeks
期刊介绍: Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.
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