Chemical kinetics of SARA fractions pyrolysis: Saturates and aromatics

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis Pub Date : 2024-10-01 DOI:10.1016/j.jaap.2024.106818

Elia Colleoni , Paolo Guida , Vasilios G. Samaras , Alessio Frassoldati , Tiziano Faravelli , William L. Roberts

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引用次数: 0

Abstract

This manuscript focuses on presenting a predictive and widely applicable model for describing the pyrolysis of saturates and aromatics, two of the so called SARA (Saturates, Aromatics, Resins, Asphaltenes) fractions. The fractions extracted from two different oil samples, a typical Heavy Fuel Oil 380 and a typical Vacuum Residue Oil, were thoroughly investigated. Different experimental methods elucidated the elemental composition, chemical structure, thermal degradation behavior, and characterized the products released during the pyrolysis of these two oils. Finally, a model to describe the pyrolysis of saturates and aromatics was developed. The model is comprehensive of methodology for the definition of a surrogate and a kinetic mechanism to describe its pyrolysis. The surrogate is defined using a certain number of pseudo-components, whose mass fraction in the mixture is defined to match the chemical properties of the actual fuel. A kinetic mechanism was defined by pairing each pseudo-component with a reaction to describe its thermal decomposition. The model was then validated against literature data and demonstrated to be predictive in describing the pyrolysis of different samples.

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SARA 馏分热解的化学动力学：饱和物和芳烃

本手稿重点介绍了一种可广泛应用的预测模型，用于描述饱和物和芳烃的热解过程，饱和物和芳烃是所谓的 SARA（饱和物、芳烃、树脂、沥青质）馏分中的两种。对从两种不同油样（典型的重燃油 380 和典型的真空渣油）中提取的馏分进行了深入研究。不同的实验方法阐明了这两种油在热解过程中的元素组成、化学结构、热降解行为以及释放产物的特征。最后，建立了一个描述饱和油和芳烃热解的模型。该模型包含定义代用品的方法和描述其热解的动力学机制。代用品是用一定数量的伪成分定义的，其在混合物中的质量分数与实际燃料的化学性质相匹配。通过将每种伪成分与描述其热分解的反应配对来定义动力学机制。然后根据文献数据对该模型进行了验证，并证明该模型在描述不同样品的热解过程中具有预测性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Analytical and Applied Pyrolysis 化学-分析化学

CiteScore

9.10

自引率

11.70%

发文量

340

审稿时长

44 days

期刊介绍： The Journal of Analytical and Applied Pyrolysis (JAAP) is devoted to the publication of papers dealing with innovative applications of pyrolysis processes, the characterization of products related to pyrolysis reactions, and investigations of reaction mechanism. To be considered by JAAP, a manuscript should present significant progress in these topics. The novelty must be satisfactorily argued in the cover letter. A manuscript with a cover letter to the editor not addressing the novelty is likely to be rejected without review.