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Modeling of a Moving Reacting Carbon Char Particle Using Macropore-Resolved and Porous Media Approaches
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2024-11-15 , DOI: 10.1021/acs.iecr.4c02880
Andrés Arriagada Romero, Mario Gonzalo Toledo, Robert E. Hayes, Petr A. Nikrityuk

This work presents a comparative computational study of the heterogeneous combustion of a single spherical carbon char particle in hot atmospheres with different O2 concentrations using a porous media model (PMM) and macropore-resolved simulations (PRS). A two-dimensional axisymmetric computational fluid dynamics model (2D CFD) in a pseudo-steady-state approach (PSS) is performed. In both cases, a semiglobal kinetic scheme is implemented, including three heterogeneous and three homogeneous chemical reactions. Several Reynolds numbers (Rein = 10, 50, and 100), inflow gas temperatures (Tin = 1100–2000 K), and inlet mass fractions of oxygen (YO2,in = 0.05 and 0.11) are assessed. Results show good agreement between PMM and PRS, especially for Tin = 2000 K, where the deviation in the values for the species was not higher than 8.3%. Maximum deviation for CO2 was 1.54% when evaluating the maximum values for the species concentration. In addition, the effects of the gasifying conditions, oxidative regime, and tortuosity on the partial oxidation process are discussed.

中文翻译:


使用大孔分辨和多孔介质方法对移动反应性碳焦颗粒进行建模



这项工作使用多孔介质模型 (PMM) 和大孔分辨模拟 (PRS) 对单个球形碳焦颗粒在不同 O2 浓度的高温气氛中的非均相燃烧进行了比较计算研究。在伪稳态方法 (PSS) 中执行二维轴对称计算流体动力学模型 (2D CFD)。在这两种情况下,都实现了半全局动力学方案,包括三个非均相和三个均相化学反应。评估了几个雷诺数(Rein = 10、50 和 100)、流入气体温度 (Tin = 1100–2000 K) 和氧的入口质量分数 (YO2,in = 0.05 和 0.11)。结果表明 PMM 和 PRS 之间具有良好的一致性,尤其是对于 T= 2000 K,其中物种值的偏差不高于 8.3%。在评估物质浓度的最大值时,CO2 的最大偏差为 1.54%。此外,还讨论了气化条件、氧化状态和曲折度对部分氧化过程的影响。
更新日期:2024-11-15
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