A PRF + Toluene Surrogate Fuel Model for Simulating Gasoline Kinetics
A PRF + Toluene Surrogate Fuel Model for Simulating Gasoline Kinetics
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发表时间：
2007
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通讯作者：
M. Chaos;Z. Zhao;A. Kazakov;P. Gokulakrishnan;M. Angioletti;F. Dryer
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作者：
M. Chaos;Z. Zhao;A. Kazakov;P. Gokulakrishnan;M. Angioletti;F. Dryer
研究了一级参考燃料混合物（PRF、正庚烷和异辛烷）加甲苯（以下简称PRF+1混合物）作为汽油燃烧研究的替代燃料的使用。解释了选择甲苯作为第三替代组分的原因及其对PRF组分的物理和动力学影响。本文报道了在可变压力流动反应器（VPFR）中，在相应的温度和压力条件下，使用纯组分以及具有与真实的汽油组成相匹配的适当C/H比的PRF+1混合物进行的实验。提出了一个最小化/优化的化学动力学模型，预测纯甲苯，正庚烷，异辛烷含量的PRF+1混合物的行为，以及在最佳的PRF+1组合物用于模拟汽油。在构建模型时，将Curran等人开发的正庚烷和异辛烷的先前公开的机理[Combustion and Flame 114（1998）149-177; Combustion and Flame 129（2002）253-280]最小化、优化并组合以再现PRF结果。然后特别注意基于Klotz等人的早期工作[Proceedings of the Combustion Institute 27（1998）337-344]修改和验证甲苯子机制，因为发现现有模型不能准确地表示新收集的数据。本文所述的PRF+1动力学模型显示出再现纯组分以及来自各种实验场所的PRF+1实验数据，包括在其开发之后公布的数据。本文还讨论了烷烃和甲苯的“共氧化”反应的重要性。本文介绍了贡献，提高纯组分和PRF+1混合物的实验和动力学数据库。
The use of Primary Reference Fuels mixtures (PRF, n-heptane and iso-octane) plus toluene (hereafter referred to as PRF+1 mixtures) as a surrogate fuel for gasoline combustion research is investigated. The reasoning behind the selection of toluene as a third surrogate component and its physical and kinetic effects on the PRF components are explained. Experiments in a Variable Pressure Flow Reactor (VPFR) are reported at relevant temperature and pressure conditions using pure components as well as PRF+1 mixtures with appropriate C/H ratios matching those of real gasoline compositions. A minimized/optimized chemical kinetic model is presented that predicts the behavior of PRF+1 mixtures at pure toluene, n-heptane, and iso-octane content, as well as at the optimal PRF+1 composition used to emulate gasolines. In constructing the model, the prior published mechanisms for n-heptane and iso-octane developed by Curran et al. [Combustion and Flame 114 (1998) 149-177; Combustion and Flame 129 (2002) 253-280] were minimized, optimized and combined to reproduce PRF results. Special attention was then given to modifying and validating a toluene sub-mechanism based upon earlier work of Klotz et al. [Proceedings of the Combustion Institute 27 (1998) 337-344], as it was found that existing models failed to accurately represent the newly collected data. The PRF+1 kinetic model described herein is shown to reproduce pure component as well as PRF+1 experimental data from a variety of experimental venues, including data published subsequent to its development. The importance of “co-oxidation” reactions of alkanes and toluene is also discussed. The present paper describes contributions that improve the experimental and kinetic database on pure components and PRF+1 mixtures.