Kavand Mohammad, Mollaabbasi Roozbeh, Ziegler Donald, Larachi Faïçal, Picard Donald, Alamdari Houshang
Aluminum Research Centre REGAL, Université Laval, 1065 avenue de la Médecine, Québec, Québec G1V 0A6, Canada.
Alcoa corporation, Alcoa Technical Centre, 859 White Cloud Road, New Kensington, Pennsylvania 15068, United States.
ACS Omega. 2021 Mar 22;6(12):8002-8015. doi: 10.1021/acsomega.0c05297. eCollection 2021 Mar 30.
The present work focuses on the gasification of a single carbon-anode particle with CO, using a detailed reaction-transport model based on the reaction intrinsic kinetics and transport of gaseous species. The model includes the mass conservation equations for the gas components and solid carbon particles, resulting in a set of nonlinear partial differential equations, being solved using numerical techniques. The model may predict the gas generation rate, the gas compositions, and the carbon consumption rate during the gasification of a carbon particle. Five kinetic models were compared to describe the gasification behavior of carbon particles. It was found that the random pore model (RPM) provided the best description of the reactivity of anode particles. The model also predicted the particle shrinkage during the gasification process. The model was validated using experimental results obtained with different particle size ranges, being gasified with CO at 1233 K. The experiments were performed in a thermogravimetric analyzer (TGA). Good agreement between the model results and the experimental data showed that this approach could quantify with success the gasification kinetics and the gas distribution within the anode particle. In addition, the Langmuir-Hinshelwood (L-H) model is used in order to capture the inhibition effect of carbon monoxide on the gasification reaction. The effectiveness factor and Thiele modulus simulated for various particle sizes helped assess the evolution of the relative dominance of diffusion and chemical reactions during the gasification process.
本研究工作聚焦于使用基于反应本征动力学和气态物质传输的详细反应-传输模型，对单个碳阳极颗粒与一氧化碳的气化过程进行研究。该模型包括气体组分和固体碳颗粒的质量守恒方程，由此产生一组非线性偏微分方程，采用数值技术求解。该模型可以预测碳颗粒气化过程中的气体生成速率、气体组成和碳消耗速率。比较了五个动力学模型来描述碳颗粒的气化行为。结果发现，随机孔模型（RPM）能最好地描述阳极颗粒的反应活性。该模型还预测了气化过程中颗粒的收缩情况。使用在1233K下用一氧化碳气化不同粒径范围的颗粒所获得的实验结果对该模型进行了验证。实验在热重分析仪（TGA）中进行。模型结果与实验数据之间的良好一致性表明，这种方法能够成功地量化阳极颗粒内的气化动力学和气体分布。此外，使用朗缪尔-欣谢尔伍德（L-H）模型来捕捉一氧化碳对气化反应的抑制作用。针对不同粒径模拟的有效因子和西勒模数有助于评估气化过程中扩散和化学反应相对主导地位的演变。
