International Journal of Hydrogen Energy ( IF 8.1 ) Pub Date : 2020-04-13 , DOI: 10.1016/j.ijhydene.2020.03.135 Apichaya Theampetch , Chaiwat Prapainainar , Sabaithip Tungkamani , Phavanee Narataruksa , Thana Sornchamni , Líney Árnadóttir , Goran N. Jovanovic
Fuels production from syngas via Fischer Tropsch synthesis (FTs) is an alternative technology for clean energy production. The microkinetic model is a promising approach for gaining insight into FTs activity. In this study, a systematic microkinetic model was proposed to develop a process for cobalt-catalyzed FTs. All possible elementary reactions based on the carbide mechanism and characteristics of catalyst sites were considered in the kinetic model. The effects of the reaction rate constant, reaction pathways, and H2 to CO ratio were represented by a kinetic parameter, reaction path, and operating parameter, respectively. The model could accurately predict product distribution trends, with an R2 value and mean absolute relative residuals percentage of 0.91–0.93 and 5–43%, respectively, in comparison with experimental data. Hydrogen utilization was predicted and analyzed. High model accuracy was achieved, with a 10−10–10−3% error in the material balance.
中文翻译:
通过钴催化剂上的费托合成合成气到碳氢化合物的详细微动力学模型
通过费托合成 (FTs) 从合成气生产燃料是清洁能源生产的替代技术。微动力学模型是深入了解 FTs 活动的一种很有前景的方法。在这项研究中,提出了一个系统的微动力学模型来开发钴催化 FTs 的过程。在动力学模型中考虑了基于碳化物机制和催化剂位点特征的所有可能的元素反应。反应速率常数、反应途径和H 2与CO 比的影响分别由动力学参数、反应路径和操作参数表示。该模型可以准确预测产品分布趋势,R 2值和平均绝对相对残差百分比分别为 0.91-0.93 和 5-43%,与实验数据相比。氢利用被预测和分析。实现了高模型精度,物料平衡误差为 10 -10 –10 -3 %。