隨著全球航空運輸需求持續增加，航空產業之碳排放問題日益受到重視。由於航空燃料需具備高能量密度與良好低溫流動性，使航空部門相較其他運輸系統更難以透過全面電動化方式達成減碳目標。因此，永續航空燃料被視為目前最具實際應用潛力之替代燃料之一。其中，加氫處理酯與脂肪酸路徑因技術成熟度高、可銜接既有煉油製程，且適合處理油脂類原料，成為目前重要的 SAF 製程之一。微藻油具有高產油率、不與糧食作物競爭及可吸收二氧化碳等優點，其脂肪酸組成亦以 C16 與 C18 長鏈脂肪酸為主，適合作為 HEFA 製程之生質油脂原料。
在 HEFA 製程中，油脂首先經由加氫脫氧反應去除氧原子，生成以 C15-C18 為主之長鏈正構烷烴；後續再透過異構化與裂解反應調整碳數分布與支鏈結構，以改善航空燃料之凝固點、密度與熱值等關鍵性質。然而，過去 SAF 製程模擬研究中，異構化與裂解步驟常以簡化方式處理，例如使用固定產率反應器、僅考慮單一 C16 組分之異構化反應，或將裂解產物限制於 C8 以上，可能造成產物分布與燃料物性預測失真。因此，本研究以 Aspen Plus 建立微藻油轉化 SAF 之 HEFA 製程模擬架構，並結合 MATLAB 進行參數回歸與模型最佳化；同時將異構化與裂解反應網絡由 C16 延伸至 C15-C18，並將裂解最低產物延伸至 C4，以更完整描述長鏈烷烴之反應行為。
結果顯示，本研究所建立之延伸模型可有效改善產物分布預測準確性，其平均絕對誤差為 4.24%。進一步進行 HEFA 製程放大模擬後發現，不同異構化與裂解模型會顯著影響燃料物性預測，本研究延伸模型可得到較合理之 C4–C18 產物分布，其預測凝固點為 −39.19 °C，密度為 736.23 kg/m³。綜合而言，本研究證實完整異構化與裂解反應網絡對 SAF 製程模擬與燃料性質預測具有重要影響，並可作為後續製程設計與放大評估之參考。

With the continuous growth of global air transportation, reducing carbon emissions from the aviation sector has become increasingly important. Sustainable aviation fuel (SAF) is considered one of the most practical alternatives to conventional jet fuel. Among various SAF pathways, hydroprocessed esters and fatty acids (HEFA) is a mature technology suitable for converting lipid-based feedstocks such as microalgae oil. In this study, Aspen Plus was used to establish a HEFA process model, while MATLAB was integrated for kinetic parameter regression and optimization. The conventional C16 isomerization–cracking kinetic model was extended to C15–C18 hydrocarbons, and the minimum cracking product was expanded to C4. For multiple feasible cracking pathways, the overall cracking kinetic constant was evenly distributed among individual pathways to avoid artificially increasing the total cracking rate. Three kinetic models were compared using mean absolute error (MAE). The proposed model achieved the lowest MAE of 4.24%, indicating improved agreement with experimental product distributions. Fuel properties were subsequently evaluated under an ideal separation assumption, where only the C8–C16 hydrocarbon fraction was considered as the SAF product. The proposed model predicted a freezing point of −39.19 °C, a density of 736.23 kg/m³, and a specific energy of approximately 47.6 MJ/kg, demonstrating the importance of reaction-network completeness in SAF property prediction.

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