화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.113, No.39, 10474-10487, 2009
Modeling TNT Ignition
A 2,4,6-trinitrotoluene (TNT) ignition model was developed using data from multiple sources.(1-4) The one-step, first-order, pressure-dependent mechanism was used to predict ignition behavior from small- and large-scale experiments involving significant fluid motion. Bubbles created from decomposition gases were shown to cause vigorous boiling. The forced mixing caused by these bubbles was not modeled adequately using only free liquid convection, Thorough mixing and ample contact of the reactive species indicated that the TNT decomposition products were in equilibrium. The effect of impurities on the reaction rate was the primary uncertainty in the decomposition model.