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Validation of a Kinetic Model for Methanation of COx Gases with Literature Data
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2025-01-10 , DOI: 10.1021/acs.iecr.4c04070
Juan J. Ríos, Jorge Ancheyta, Andrey Elyshev, Andrey Zagoruiko

A kinetic modeling study was performed for the methanation of COx gases using experimental data from the literature. The original kinetic parameters were used to calculate the different reaction rates, which resulted in an average absolute error of 11%. By means of a sensitivity analysis, it was demonstrated that the reported values of parameters do not correspond to the global minimum of the objective function. A recalculation of the kinetic parameters using an optimization methodology was performed in order to obtain the optimal values of the parameters. After applying the methodology, a series of simulations using the optimized values was performed where the predictions obtained with the new values of parameters exhibited a better accuracy to predict the experimental data in comparison with the reported kinetic parameter values with an average absolute error of 2.18%.

中文翻译:


使用文献数据验证 COx 气体甲烷化的动力学模型



使用文献中的实验数据对 COx 气体的甲烷化进行了动力学建模研究。使用原始动力学参数计算不同的反应速率,导致平均绝对误差为 11%。通过敏感性分析,证明参数的报告值与目标函数的全局最小值不对应。使用优化方法对动力学参数进行重新计算,以获得参数的最佳值。应用该方法后,使用优化值进行了一系列模拟,其中与报告的动力学参数值相比,使用新参数值获得的预测表现出更好的预测实验数据的准确性,平均绝对误差为 2.18%。
更新日期:2025-01-11
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