A study of pyrolysis reaction mechanisms for two different sustainable aviation fuels certificated by Civil Aviation Administration of China

IF 6.2 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis Pub Date : 2025-09-05 DOI:10.1016/j.jaap.2025.107369

Lei Sun , Fangliang Wang , Yecheng Song , Kun Wang , Desheng Qin , Zekun Zheng , Yong Huang

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引用次数: 0

Abstract

Sustainable aviation fuel (SAF), particularly hydrotreated esters and fatty acids (HEFA) derived from waste cooking oil (WCO), is a realistic and potential pathway to realize the target of “Fly Net Zero” for the aviation industry. To develop reaction mechanisms of SAF suitable for combustor simulations, two different SAFs (named SAF1 and SAF2) synthesized from WCO and certificated by Civil Aviation Administration of China (CAAC) were investigated. The detailed compositional analyses of these two SAFs were executed via gas chromatography-mass spectrometry (GC-MS) technique, and the results were used to construct surrogate models. The pyrolysis and oxidation experiments were performed in a flow reactor at 1000 K and an atmospheric pressure to obtain the speciation data for the two SAFs. The Hybrid Chemistry (HyChem) approach was employed to develop reaction mechanisms of the two SAFs. A multi-objective genetic algorithm, NSGA-II, was utilized to determine the three Arrhenius coefficients of the seven lumped reactions. Both HyChem models were successfully validated by the experimental data. The speciation data and global combustion parameters were accurately predicted by HyChem models for these two SAFs. Finally, sensitivity analysis revealed the similar effects of the seven lumped reactions on ignition delay time (IDT) for the two SAFs. R2 (fuel + H), R4 (fuel + OH), and R5 (fuel + O₂) play important roles in the system reactivity, while R6 (fuel + HO₂) and R7 (fuel + O) have negligible influence on IDT predictions for all tested conditions.

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两种经民航局认证的可持续航空燃料热解反应机理研究

可持续航空燃料（SAF），特别是从废食用油（WCO）中提取的加氢处理酯和脂肪酸（HEFA），是实现航空业“零净飞行”目标的现实和潜在途径。为了开发适合燃烧室模拟的SAF反应机理，对由WCO合成并经中国民用航空局（CAAC）认证的两种不同的SAF （SAF1和SAF2）进行了研究。通过气相色谱-质谱（GC-MS）技术对这两种SAFs进行了详细的成分分析，并将结果用于构建代理模型。在1000 K和常压下的流动反应器中进行了热解和氧化实验，获得了两种硫化物的形态数据。采用杂化化学（HyChem）方法研究了这两种化合物的反应机理。采用NSGA-II多目标遗传算法确定7个集总反应的3个阿伦尼乌斯系数。实验数据成功验证了HyChem模型的有效性。利用HyChem模型对这两种燃料的形态数据和整体燃烧参数进行了准确的预测。最后，灵敏度分析表明，7种集总反应对两种saf的点火延迟时间（IDT）有相似的影响。R2（燃料+ H）， R4（燃料+ OH）和R5（燃料+ O₂）在系统反应性中起重要作用，而R6（燃料+ HO2）和R7（燃料+ O）在所有测试条件下对IDT预测的影响可以忽略不计。

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.