可持续航空燃料 (SAF) 的简化反应机制：异链烷醇到喷射合成石蜡煤油 (AtJ-SPK) 及其与 Jet A 的混合物,Energy & Fuels

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可持续航空燃料 (SAF) 的简化反应机制：异链烷醇到喷射合成石蜡煤油 (AtJ-SPK) 及其与 Jet A 的混合物
Energy & Fuels ( IF 5.2 ) Pub Date : 2023-07-27 , DOI: 10.1021/acs.energyfuels.3c01805
Jiangkuan Xing ₁ , Zhenhua An ₁ , Yanqi Zhang ₁ , Ryoichi Kurose ₁

Affiliation

醇制喷气合成石蜡煤油 (AtJ-SPK) 是一种经批准的可持续航空燃料 (SAF)，与传统 Jet A 燃料混合，最近进行了实验研究，并开发了详细的机制来描述其燃烧行为。本研究旨在开发 AtJ-SPK 及其与 Jet A 的混合物的简化机制，以实现高保真且计算负担得起的计算流体动力学。具体来说，针对纯 AtJ-SPK 及其与来自 LLNL-AtJ-SPK 的 Jet A 的混合物开发了两种简化机制 [Richter 等人。燃烧。Flame 2022 , 240 , 111994] 和 POLIMI 详细机制 [Ranzi 等人。程序。能量燃烧。科学。 2012年, 38(4), 468–501]，分别使用组合归约法。与主详细机制相比，简化机制可分别实现物种/反应数减少80%/92.4%和92%/90%。通过将预测的点火延迟时间、层流火焰速度和时间/空间轮廓与使用主详细机制以及实验数据预测的进行比较，在各种条件下进一步验证了所开发的简化机制。最后，二维直接数值模拟中的计算成本比较表明，所开发的简化机制可以将计算速度分别提高超过 5000 倍和 529 倍。

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Reduced Reaction Mechanisms for Sustainable Aviation Fuel (SAF): Isoparaffinic Alcohol-to-Jet Synthetic Paraffinic Kerosene (AtJ-SPK) and Its Blends with Jet A

Alcohol-to-Jet Synthetic Paraffinic Kerosene (AtJ-SPK), an approved sustainable aviation fuel (SAF) by blending with conventional Jet A fuel, has recently been experimentally studied, and detailed mechanisms have been developed to describe its combustion behavior. The present study aims to develop reduced mechanisms of AtJ-SPK and its blends with Jet A for high-fidelity and computationally affordable computational fluid dynamics. Specifically, two reduced mechanisms were developed for pure AtJ-SPK and its blends with Jet A from LLNL-AtJ-SPK [Richter et al. Combust. Flame 2022, 240, 111994] and POLIMI detailed mechanisms [Ranzi et al. Prog. Energy Combust. Sci. 2012, 38 (4), 468–501], respectively, using a combined reduction method. The reduced mechanisms can achieve 80%/92.4% and 92%/90% reductions of the species/reaction numbers, respectively, compared with those of the master detailed mechanisms. The developed reduced mechanisms were further validated under various conditions by comparing the predicted ignition delay times, laminar flame speeds, and temporal/spatial profiles with those predicted using the master detailed mechanisms as well as experimental data. Finally, the computational cost comparison in the two-dimensional direct numerical simulation demonstrated that the developed reduced mechanisms can impressively accelerate the calculation speed by more than 5000 and 529 times, respectively.

更新日期：2023-07-27

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