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Kinetic mechanism of 2,3,3,3-tetrafluoropropene (HFO-1234yf) combustion
Journal of Fluorine Chemistry ( IF 1.7 ) Pub Date : 2017-07-16 , DOI: 10.1016/j.jfluchem.2017.07.005
V.I. Babushok , G.T. Linteris

A kinetic model for 2,3,3,3-tetrafluoropropene (HFO-1234yf) high temperature oxidation and combustion is proposed. It is combined with the GRI-Mech-3.0 model, the previously developed model for 2-bromo-3,3,3-trifluoropropene (2-BTP), and the NIST C1-C2 hydrofluorocarbon model. The model includes 909 reactions and 101 species. Combustion equilibrium calculations indicate a maximum combustion temperature of 2076 K for an HFO-1234yf volume fraction of 0.083 in air for standard conditions (298 K, 0.101 MPa). Modeling of flame propagation in mixtures of 2,3,3,3-tetrafluoropropene with oxygen-enriched air demonstrates that the calculated maximum burning velocity reproduces the experimentally observed maximum burning velocity reasonably well. However, the calculated maximum is observed in lean mixtures in contrast to the experimental results showing the maximum burning velocity shifted to the rich mixtures of HFO-1234yf.



中文翻译:

2,3,3,3-四氟丙烯(HFO-1234yf)燃烧的动力学机理

提出了2,3,3,3-四氟丙烯(HFO-1234yf)高温氧化和燃烧的动力学模型。它与GRI-Mech-3.0模型,先前开发的2-溴-3,3,3-三氟丙烯(2-BTP)模型和NIST C 1 -C 2模型结合使用氢氟碳化合物模型。该模型包括909个反应和101个物种。燃烧平衡计算表明,在标准条件下(298 K,0.101 MPa)下,空气中HFO-1234yf体积分数为0.083时,最高燃烧温度为2076K。在2,3,3,3-四氟丙烯与富氧空气的混合物中火焰传播的模型表明,计算出的最大燃烧速度可以很好地再现实验观察到的最大燃烧速度。但是,与实验结果相反,实验得出的最大值是在稀薄混合物中观察到的,表明最大燃烧速度转移到了HFO-1234yf的富含混合物中。

更新日期:2017-07-16
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