Tiburcio-Cortés Jaime, Prince Juan C, Treviño César
Escuela de Ingeniería y Ciencias, Tecnológico de Monterrey, Puebla 72453, Mexico.
Facultad de Ciencias, UNAM, SISAL Campus, Sisal 97356, Yucatán, Mexico.
ACS Omega. 2024 Sep 4;9(37):38906-38915. doi: 10.1021/acsomega.4c05180. eCollection 2024 Sep 17.
-Pentanol has emerged as a promising substitute for fossil fuels due to its potential in reducing greenhouse gas emissions. This work presents a reduced combustion mechanism for modeling high-temperature ignition ( > 1000 K) and flames for -pentanol/air mixtures. The model comprises only 64 species and 282 chemical reactions. As we know, this is the first comprehensive study to include all available experimental data for these phenomena and this specific fuel/oxidizer mixture, reported in the literature. Our approach involves coupling a detailed submechanism for -pentanol to the San Diego mechanism, a reduced scheme for C-C hydrocarbons, followed by a systematic reduction process, mainly using sensitivity analysis and steady-state approximation. We quantitatively assessed the agreement between experimental data and simulation results using deviation or error indicators along with graphical comparisons. Remarkably, the ignition delay times and flame speeds calculated using the reduced kinetic model exhibit a high agreement with the experimental data reported in the literature.
戊醇因其在减少温室气体排放方面的潜力，已成为一种有前景的化石燃料替代品。这项工作提出了一种简化的燃烧机理，用于模拟高温点火（>1000K）以及戊醇/空气混合物的火焰。该模型仅包含64种物质和282个化学反应。据我们所知，这是首次全面研究纳入文献中报道的关于这些现象以及这种特定燃料/氧化剂混合物的所有可用实验数据。我们的方法包括将戊醇的详细子机理与圣地亚哥机理（一种用于碳 - 碳氢化合物的简化方案）相耦合，随后进行系统的简化过程，主要使用灵敏度分析和稳态近似。我们使用偏差或误差指标以及图形比较来定量评估实验数据与模拟结果之间的一致性。值得注意的是，使用简化动力学模型计算出的点火延迟时间和火焰速度与文献中报道的实验数据高度吻合。
