Bridging the gap between kinetic model conception and catalyst design is targeted in catalytic naphtha reforming process development. New catalysts are continuously optimised in order to achieve higher selectivity in C₅⁺ products. An adequate description of catalytic transformations by the kinetic models would therefore provide clues for catalyst design and accelerate the time to market implementation of process simulators. This study investigates the influence of site density and location on n-heptane reforming selectivity. It identifies the nature of the limiting steps for the different reforming pathways on a broad range of catalyst formulations. A common lumped model using power law kinetics is developed to describe already published experimental observations on the set of selected catalysts. Linear free energy relationships are used in order to handle a reduced number of statistically relevant adjustable parameters. The dependence between reference rate constants and active phase formulation is then unravelled. Unexpected results indicate that chlorine content and repartition at the crystallite scale affects the hydrogenolysis activity. Within the range of tested formulations, this study suggests that hydroisomerisation reactions are limited by acid sites transformations whereas the aromatisation pathways seem to proceed through a metal/acid bi-functional scheme. The further elaboration of a kinetic model that is able to predict the effect of an industrial catalyst active phase formulation change in full naphtha cut reforming lies beyond the scope of this article.

中文翻译：

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正庚烷重整过程中Pt /γ-Al2O3-Cl催化剂组成变化的动力学模型

催化石脑油重整工艺开发的目标是弥合动力学模型概念与催化剂设计之间的差距。不断优化新型催化剂，以在C ₅ ⁺产品中实现更高的选择性。因此，通过动力学模型对催化转化的充分描述将为催化剂设计提供线索，并加快过程模拟器在市场上的实施时间。这项研究调查了站点密度和位置对n的影响-庚烷重整选择性。它确定了各种催化剂配方中不同重整途径的限制步骤的性质。建立了使用幂律动力学的通用集总模型，以描述已发表的关于所选催化剂组的实验观察结果。为了处理数量减少的统计相关可调参数，使用了线性自由能关系。然后阐明参考速率常数与活性相配方之间的相关性。出乎意料的结果表明，氯含量和在微晶尺度上的重新分配影响了氢解活性。在经过测试的配方范围内，这项研究表明加氢异构化反应受酸位点转化的限制，而芳构化途径似乎是通过金属/酸双功能方案进行的。能够在全石脑油馏分重整中预测工业催化剂活性相配方变化影响的动力学模型的进一步阐述超出了本文的范围。