Revisiting the Oxidation of C3H8 at Elevated Pressure
摘要
The oxidation of propane (C3H8) was investigated in a jet-stirred reactor under equivalence ratios (Φ) of 0.5.3.0 within 675–1025 K at 1.2 MPa. Mole fraction profiles of 14 species were identified and quantified by online gas chromatographs (GC) and gas chromatography-mass spectrometry (GC-MS). The alkenes including n-butene (C4H8-1) and 1,3-butadiene (1,3-C4H6) were newly identified compared with previous oxidation studies of C3H8. A detailed kinetic model consisting of 426 species and 1933 reactions was developed with reasonable predictions against the experiment data. In general, the peak mole fractions of light alkanes shift toward higher values with increasing Φ, while opposite trends are observed for inorganic species. The species of light alkanes increase with the increasing Φ. Rate-of-production analysis indicates that C3H8 is mainly consumed by H-abstractions with OH radicals to produce normal-propyl (nC3H7) and iso-propyl (iC3H7) radicals under all conditions. Sensitivity analysis shows that H2O2(+M)=2OH(+M) plays a promoting role in C3H8 consumption, while reaction 2HO2=H2O2+O2 plays an inhibiting role. Particular attention was paid to the effect of pressure and Φ on C3H8 consumption at 1.2.10.0 MPa and with Φ ranging from 0.1 to 3.0. It is found that the onset reaction temperature of C3H8 decreases with increasing pressure. The Rate-of-production (ROP) analysis indicates that the reactions related to pressure-dependent result in decreased onset reaction temperature and C4 species would be more formed at lower pressure. In addition to the present experiment data, the model can reasonably predict the ignition delay times and laminar burning velocities reported in the literature.