Experimental and kinetic modeling study of tert-butanol combustion at low pressure

摘要

Pyrolysis of tert-butanol (2.77% tert-butanol in argon) in a laminar plug flow reactor was studied at low pressure and a temperature range of 950-1850 K. More than 20 pyrolysis species were identified by using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS); and their mole fraction profiles versus the pyrolysis temperature were evaluated. A kinetic model including 101 species and 511 reactions was developed and validated by both the pyrolysis data and recently reported rich premixed flame data (Combustion and Flame 2011; 158:2-15). Reaction flux analysis demonstrates that the main decomposition reaction sequence of tert-butanol in both pyrolysis and rich flame is tC_4H_9OH/ IC_4H_8OH → iC_4H_8 → iC_4H_7 → aC_3H_4 → pC_3H_4 → C_2H_2. The most remarkable difference is that the H_2O elimination reaction is the dominant primary decomposition pathway of tert-butanol in the pyrolysis, while H-abstraction reactions control the primary decomposition of tert-butanol in the rich flame.