Single-pulse shock tube studies of hydrocarbon pyrolysis. Part 5.—Pyrolysis of neopentane

Abstract

The thermal decomposition of neopentane has been studied in the single-pulse shock tube over the temperature range 1030–1300 K. The experimental results are fully explained by the generalized mechanism for alkane pyrolysis proposed by Bradley (Proc. Roy. Soc. A, 1974, 337, 199) provided the same special features are included i.e. “forbidden” radical isomerizations, hydrogen atom attack on olefins, and “high” rates for methyl radical abstraction reactions. Optimization by computer of the critical reaction parameters leads to the following rate constants neo-C5H12→ t–C4H9+ CH3k1= 3.3 × 1016 exp(– 336 kJ mol–1/RT)S–1(1), CH3+ C5H12→ CH4+ C5H11k2= 6.6 × 1011 exp(–90kJ mol–1/RT) dm3 mol–1 S–1(2), H + C4H8→ C4H9k14= 1.6 × 1010 exp(– 6.3 kJ mol–1/RT) dm3 mol–1 S–1. (14)