Cai JH, Zhang LD, Yang JZ, Li YY, Zhao L, Qi F (2012) Experimental and kinetic modeling study of tert-butanol combustion at low pressure. Energy 43(1), 94-102. [In English]
Web link: http://dx.doi.org/10.1016/j.energy.2011.12.024
Keywords: Tert-Butanol; Pyrolysis; Rich flame; SVUV-PIMS; Kinetic model; Decomposition pathway; oxygenated hydrocarbons; decomposition; oxidation; pyrolysis; isomers; flame; photoionization; ethanol
Abstract: 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(4)H(9)OH/IC4H8OH -> C4H8 -> C4H7 -> aC(3)H(4) -> pC(3)H(4) -> C2H2. The most remarkable difference is that the H2O 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. (C) 2011 Elsevier Ltd. All rights reserved.