Modeling of a Moving Reacting Carbon Char Particle Using Macropore-Resolved and Porous Media Approaches

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Industrial & Engineering Chemistry Research Pub Date : 2024-11-15 DOI:10.1021/acs.iecr.4c02880

Andrés Arriagada Romero, Mario Gonzalo Toledo, Robert E. Hayes, Petr A. Nikrityuk

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Abstract

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 (Re_in = 10, 50, and 100), inflow gas temperatures (T_in = 1100–2000 K), and inlet mass fractions of oxygen (Y_O₂,in = 0.05 and 0.11) are assessed. Results show good agreement between PMM and PRS, especially for T_in = 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.

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利用大孔溶解法和多孔介质法建立移动反应碳炭粒子模型

本研究采用多孔介质模型（PMM）和大孔分辨模拟（PRS），对单个球形碳炭颗粒在不同氧气浓度的热大气中的异质燃烧进行了比较计算研究。采用伪稳态方法（PSS）建立了二维轴对称计算流体动力学模型（2D CFD）。在这两种情况下，都采用了半全局动力学方案，包括三种异质化学反应和三种均质化学反应。对多个雷诺数（Rein = 10、50 和 100）、流入气体温度（Tin = 1100-2000 K）和氧气入口质量分数（YO2,in = 0.05 和 0.11）进行了评估。结果表明 PMM 和 PRS 之间的一致性很好，尤其是在锡=2000 K 时，物种值的偏差不超过 8.3%。在评估物种浓度的最大值时，二氧化碳的最大偏差为 1.54%。此外，还讨论了气化条件、氧化机制和迂回度对部分氧化过程的影响。

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来源期刊

Industrial & Engineering Chemistry Research 工程技术-工程：化工

CiteScore

7.40

自引率

7.10%

发文量

1467

审稿时长

2.8 months

期刊介绍： ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.