Abstract Ethyl pentanoate (EPE) or ethyl valerate is considered a surrogate for biodiesel fuels and a potential fuel for spark ignition engines. Knowledge of its combustion chemistry is of great importance for the development of high-performance and environmentally friendly combustion devices fueled with biofuels. In this work, a detailed chemical kinetic mechanism for the combustion of EPE is developed on the basis of a well-validated kinetic model proposed earlier for short ethyl esters up to ethyl propionate (by Sun et al.). The Sun et al. mechanism was augmented with primary oxidation reactions of ethyl butanoate and ethyl pentanoate and specific intermediates involved in these reactions. The proposed kinetic mechanism was validated against the new experimental data reported in this work on the chemical speciation of laminar premixed flames of stoichiometric EPE/O2/Ar mixtures at low (50 Torr) and atmospheric pressures. The mechanism provided a good predictive capability for experimental mole fraction profiles of many flame intermediates. The new mechanism was also shown to predict well literature experimental data on laminar flame speeds of EPE/air mixtures in a range of equivalence ratios and pressures. The reported flame data can be used for validation of kinetic models for ethyl ester-based biofuels.

中文翻译：

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低气压和大气压下戊酸乙酯的层流火焰结构：实验和动力学模型研究

摘要 戊酸乙酯 (EPE) 或戊酸乙酯被认为是生物柴油燃料的替代品和火花点火发动机的潜在燃料。了解其燃烧化学对于开发以生物燃料为燃料的高性能和环保燃烧装置具有重要意义。在这项工作中，EPE 燃烧的详细化学动力学机制是在早先提出的短乙酯到丙酸乙酯（Sun 等人）提出的经过充分验证的动力学模型的基础上开发的。太阳等人。丁酸乙酯和戊酸乙酯的初级氧化反应以及这些反应中涉及的特定中间体增强了该机制。所提出的动力学机制根据这项工作中报告的新实验数据进行了验证，该实验数据是在低 (50 Torr) 和大气压下化学计量 EPE/O2/Ar 混合物的层流预混火焰的化学形态。该机制为许多火焰中间体的实验摩尔分数分布提供了良好的预测能力。新机制还被证明可以很好地预测有关 EPE/空气混合物在一系列当量比和压力范围内的层流火焰速度的文献实验数据。报告的火焰数据可用于验证基于乙酯的生物燃料的动力学模型。新机制还被证明可以很好地预测有关 EPE/空气混合物在一系列当量比和压力范围内的层流火焰速度的文献实验数据。报告的火焰数据可用于验证基于乙酯的生物燃料的动力学模型。新机制还被证明可以很好地预测有关 EPE/空气混合物在一系列当量比和压力范围内的层流火焰速度的文献实验数据。报告的火焰数据可用于验证基于乙酯的生物燃料的动力学模型。