Optimization of Sustainable Aviation Fuel Production through Experiment-Driven Modeling of Acid-Catalyzed Oligomerization

IF 7.1 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY ACS Sustainable Chemistry & Engineering Pub Date : 2024-11-15 DOI:10.1021/acssuschemeng.4c08240
Florent J. Dubray, Vladimir Paunovic, Jeroen A. van Bokhoven
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Abstract

To reduce the aviation industry’s greenhouse gas emissions, sustainable aviation fuel (SAF) is needed. Therefore, a methanol-to-SAF process comprising (i) methanol to olefin (MTO), (ii) olefin oligomerization, and (iii) olefin hydrogenation reaction steps is a promising route. The olefin oligomerization step is responsible for resulting SAF properties and needs to be optimized in concert with the previous MTO step. For this purpose, a kinetic model using a total of seven kinetic parameters was designed from a limited number of experimental measurements, allowing us to successfully describe the oligomerization reactivity of various olefin mixtures over an acid catalyst in flow. This inexpensive model predicted optimal reaction conditions and feed compositions, resulting in product mixtures with properties matching those of conventional Jet-A1 aviation fuel. To maximize SAF-range products, a feed composed of C4 and C5 olefins is most desirable, while controlled C3, C6, and C7 olefin cofeeding and C4/C5 olefin feed ratio are required to finely tune the SAF product composition. This modeling approach allows for efficient process optimization directed toward the synthesis of SAF with controlled properties and composition. Additionally, precise MTO–olefin compositions can be predicted for the optimal production of high-quality SAF, pointing toward the development of an efficient overall methanol-to-SAF process.

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通过酸催化低聚物实验驱动模型优化可持续航空燃料生产
为减少航空业的温室气体排放,需要可持续航空燃料(SAF)。因此,由 (i) 甲醇制烯烃 (MTO)、(ii) 烯烃低聚和 (iii) 烯烃加氢反应步骤组成的甲醇制 SAF 工艺是一条很有前景的路线。烯烃低聚反应步骤决定了 SAF 的性能,需要与之前的甲醇制烯烃(MTO)步骤协同优化。为此,我们根据有限的实验测量数据设计了一个动力学模型,共使用了七个动力学参数,从而成功地描述了各种烯烃混合物在酸催化剂上的流动低聚反应性。这一廉价模型预测了最佳反应条件和进料成分,使产品混合物具有与传统 Jet-A1 航空燃料相匹配的特性。为了最大限度地获得 SAF 系列产品,最理想的进料成分是 C4 和 C5 烯烃,同时需要控制 C3、C6 和 C7 烯烃的共进料和 C4/C5 烯烃的进料比,以微调 SAF 产品成分。这种建模方法可实现高效的工艺优化,以合成具有可控性质和成分的 SAF。此外,精确的 MTO 烯烃成分可以预测出高质量 SAF 的最佳产量,从而指向高效的甲醇-SAF 整体工艺的开发。
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来源期刊
ACS Sustainable Chemistry & Engineering
ACS Sustainable Chemistry & Engineering CHEMISTRY, MULTIDISCIPLINARY-ENGINEERING, CHEMICAL
CiteScore
13.80
自引率
4.80%
发文量
1470
审稿时长
1.7 months
期刊介绍: ACS Sustainable Chemistry & Engineering is a prestigious weekly peer-reviewed scientific journal published by the American Chemical Society. Dedicated to advancing the principles of green chemistry and green engineering, it covers a wide array of research topics including green chemistry, green engineering, biomass, alternative energy, and life cycle assessment. The journal welcomes submissions in various formats, including Letters, Articles, Features, and Perspectives (Reviews), that address the challenges of sustainability in the chemical enterprise and contribute to the advancement of sustainable practices. Join us in shaping the future of sustainable chemistry and engineering.
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