| Abstract: | Chemical equilibrium calculations are made for a number of Carbon C, Hydrogen H, Nitrogen N, and Oxygen O, explosive compositions. A methodology is established to systematically limit the number of product species available in thermochemical equilibrium calculations. The calculations are then compared with “baseline” results obtained using an extensive product species library consisting of 900 gas-phase and 600 condensed-phase product species. Errors in bulk thermodynamic properties (detonation velocity and pressure) and in product chemical composition are quantified in terms of the number of species considered as products of reaction. The properties at states along an expansion isentrope are also presented. |
