A modeling analysis on industrial radial-flow packed-bed reactors for the catalytic dehydrogenation of long-chain normal paraffins: Appraisal of the modeling approach

IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Chemical Engineering Research & Design Pub Date : 2024-10-29 DOI:10.1016/j.cherd.2024.10.034
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Abstract

Catalytic dehydrogenation of long-chain normal paraffins is the most attractive route for producing of linear alkyl benzene. To make this happen, the radial-flow packed-bed reactors are employed as one of the most efficient currently available technologies. Simplifying assumptions that are sometimes imposed on reactor models to reduce the computational cost may also significantly decrease the accuracy of simulations. Here, it is decided to shed light on this matter by assessing the effect of typical model-simplifying assumptions on simulation results. To this end, one- and two-dimensional semi-homogeneous models are used to simulate an industrial-scale radial-flow packed-bed dehydrogenation reactor under isothermal and adiabatic conditions. Simulations are designed in four 1D isothermal, 1D adiabatic, 2D isothermal, and 2D adiabatic modes to compare different modeling strategies and investigate the effect of flow distribution on the reactor performance. An appropriate LHHW kinetics model is considered for paraffin dehydrogenation and the main associated side reactions over a commercial Pt-Sn-K-Mg/γ-Al2O3 catalyst. The model equations are solved numerically using the finite element method by COMSOL Multiphysics CFD software. The results show a 1–3 % discrepancy between the predictions of one- and two-dimensional models for feed conversion under isothermal and adiabatic conditions. In contrast, the comparison of isothermal and adiabatic results for each one- and two-dimensional models indicate a discrepancy of 33–36 %. Furthermore, the two-dimensional model shows a low non-uniformity in flow distribution under reaction conditions (∼ 0.175), which has a trivial negative effect on paraffin conversion.
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用于长链普通石蜡催化脱氢的工业径向流填料床反应器的模型分析:建模方法评估
长链普通石蜡的催化脱氢是生产线性烷基苯的最有吸引力的途径。为了实现这一目标,目前最有效的技术之一是采用径向流动填料床反应器。为了降低计算成本,有时会对反应器模型进行简化假设,但这也会大大降低模拟的准确性。在此,我们决定通过评估典型的模型简化假设对模拟结果的影响来阐明这一问题。为此,我们使用一维和二维半均质模型模拟等温和绝热条件下的工业规模径向流填料床脱氢反应器。模拟设计了四种一维等温、一维绝热、二维等温和二维绝热模式,以比较不同的建模策略,并研究流动分布对反应器性能的影响。针对商用 Pt-Sn-K-Mg/γ-Al2O3 催化剂上的石蜡脱氢和主要相关副反应,考虑了一个合适的 LHHW 动力学模型。COMSOL Multiphysics CFD 软件采用有限元法对模型方程进行了数值求解。结果表明,在等温和绝热条件下,一维和二维模型对进料转化的预测差异为 1-3%。相比之下,一维和二维模型的等温和绝热结果比较显示,两者的差异为 33-36%。此外,二维模型在反应条件下显示出较低的流动分布不均匀性(∼ 0.175),这对石蜡转化率的负面影响微乎其微。
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来源期刊
Chemical Engineering Research & Design
Chemical Engineering Research & Design 工程技术-工程:化工
CiteScore
6.10
自引率
7.70%
发文量
623
审稿时长
42 days
期刊介绍: ChERD aims to be the principal international journal for publication of high quality, original papers in chemical engineering. Papers showing how research results can be used in chemical engineering design, and accounts of experimental or theoretical research work bringing new perspectives to established principles, highlighting unsolved problems or indicating directions for future research, are particularly welcome. Contributions that deal with new developments in plant or processes and that can be given quantitative expression are encouraged. The journal is especially interested in papers that extend the boundaries of traditional chemical engineering.
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