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 experime ntally 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 pro be sampling and off-line gas chromatography analyses of the reacting mixtur es. 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 de tailed chemical kinetic reaction mechanism (746 reversible reactions and 11 5 species). Good agreement between the data and modeling was found. The maj or reaction paths for the oxidation of neopentane have been identified thro ugh detailed kinetic modeling. (C) 1999 by The Combustion Institute.