Abstract A 7-step kinetic model of oxidative coupling of methane (OCM) to C2+ hydrocarbons over the SrO-La2O3 catalyst was developed. The experiments were carried out in a fixed bed microcatalytic reactor within a temperature range of 650 to 850 °C. The overall reaction scheme with the minimal number of steps that well predicts experimental data was elucidated via the base of the proposed stoichiometric (molar) analysis of the products formed in the experiments. The reaction network contains three primary and four consecutive reactions, one of them being gas-phase. The rates of each heterogeneous reaction were described by a Langmuir-Hinshelwood type rate equation. Kinetic rate parameters were estimated by fitting to experimental data. The comparison showed that the developed kinetic model predicts experiments well, the average relative deviation between the experimental and simulated data was about 5% and the relative prediction error for all variables amounted to less than 10%. The developed kinetic model was verified by comparing the simulation results with the experimental data obtained over the SrO-La2O3 catalyst and compared with the widely known schemes of OCM reaction proposed by of other authors. A better agreement was observed between the experiments and our model prediction as compared with other models.

中文翻译：

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SrO-La2O3 催化剂氧化甲烷偶联的研究：实验和动力学模型

摘要 建立了在 SrO-La2O3 催化剂上甲烷 (OCM) 与 C2+ 烃氧化偶联的 7 步动力学模型。实验在固定床微催化反应器中进行，温度范围为 650 至 850 ℃。通过对实验中形成的产物进行建议的化学计量（摩尔）分析的基础，阐明了具有极少步骤数的总体反应方案，可以很好地预测实验数据。反应网络包含三个主要反应和四个连续反应，其中一个是气相。每个非均相反应的速率由 Langmuir-Hinshelwood 型速率方程描述。通过拟合实验数据来估计动力学速率参数。比较表明，开发的动力学模型可以很好地预测实验，实验数据和模拟数据之间的平均相对偏差约为 5%，所有变量的相对预测误差小于 10%。通过将模拟结果与在 SrO-La2O3 催化剂上获得的实验数据进行比较，并与其他作者提出的广为人知的 OCM 反应方案进行比较，验证了所开发的动力学模型。与其他模型相比，在实验和我们的模型预测之间观察到了更好的一致性。通过将模拟结果与在 SrO-La2O3 催化剂上获得的实验数据进行比较，并与其他作者提出的广为人知的 OCM 反应方案进行比较，验证了所开发的动力学模型。与其他模型相比，在实验和我们的模型预测之间观察到了更好的一致性。通过将模拟结果与在 SrO-La2O3 催化剂上获得的实验数据进行比较，并与其他作者提出的广为人知的 OCM 反应方案进行比较，验证了所开发的动力学模型。与其他模型相比，在实验和我们的模型预测之间观察到了更好的一致性。