Combustion and Flame, Vol.118, No.1-2, 191-203, 1999
Oxidation of neopentane in a jet-stirred reactor from 1 to 10 ATM: An experimental and detailed kinetic modeling study
The oxidation of neopentane (2,2-dimethylpropane) has been studied experimentally in a jet-stirred reactor, operating at steady state, at 1, 5, and 10 atm, for equivalence ratios ranging from 0.25 to 2 and temperatures of 800 to 1230 K. The kinetics of the oxidation of neopentane was measured by probe sampling and off-line gas chromatography analyses of the reacting mixtures. Concentration profiles of the reactants (0.1-0.2 mol % neopentane/O-2/N-2), stable intermediates, and products have been obtained, leading to a detailed chemical kinetic reaction mechanism (746 reversible reactions and 115 species). Good agreement between the data and modeling was found. The major reaction paths for the oxidation of neopentane have been identified through detailed kinetic modeling.