In our prior work (Ind Eng Chem Res, 2015, 54, 10638‐10644), hydrodeoxygenation (HDO) kinetics of guaiacol, a well‐known model compound of bio‐oil, over Pt/AC (activated carbon) catalysts were investigated under integral operating conditions. It was found that the pseudo‐homogeneous plug‐flow model utilizing these kinetics describes the experimental observations well (with normalized RMS error = 7.6%). In the present work, under differential operating conditions instead, we refine the kinetic model for the same reaction network over the same catalyst. We show that among the five reaction steps in the network, the reaction order of one step differs from our prior work, while the orders remain unchanged for the other four steps. The activation energies of two steps differ from our prior values by 10–15 kJ/mol, and for the other three steps remain essentially consistent with our prior work. The kinetic parameters from the present work are used to predict fixed‐bed reactor performance under integral operating conditions as well. The comparison between experimental and predicted values for both the prior and new sets of data is excellent and even better than our prior model (with reduced normalized RMS error = 4.2%). The kinetic analysis additionally proposed that the direct and indirect pathways of phenol formation from guaiacol HDO depend on guaiacol conversion values. The present work demonstrates that kinetic expressions and parameters obtained from a gradientless differential reactor are more reliable and can be used to successfully predict integral reactor performance data.

中文翻译：

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铂催化剂上愈创木酚加氢脱氧动力学模型的改进

在我们以前的工作（工业化学工程RES，2015，54，10638-10644），愈创木酚的加氢脱氧（HDO）动力学，生物油的公知的模型化合物，在Pt / AC（活性炭）催化剂下研究整体运行条件。发现利用这些动力学的拟均质塞流模型很好地描述了实验观察结果（归一化RMS误差= 7.6％）。另外，在本工作中，下差动相反，我们在相同的催化剂条件下，针对相同的反应网络优化了动力学模型。我们表明，在网络的五个反应步骤中，一个步骤的反应顺序与我们先前的工作不同，而其他四个步骤的顺序保持不变。两步的活化能与我们先前的值相差10-15 kJ / mol，其他三步的活化能与我们先前的工作基本保持一致。当前工作的动力学参数用于预测积分下的固定床反应器性能操作条件也是如此。先前和新数据集的实验值和预测值之间的比较非常出色，甚至比我们先前的模型更好（标准化RMS误差降低了4.2％）。动力学分析另外提出了从愈创木酚HDO形成苯酚的直接和间接途径取决于愈创木酚转化率。目前的工作表明，从无梯度微分反应堆获得的动力学表达式和参数更加可靠，可用于成功预测整体反应堆性能数据。