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Calculation of Detonation Properties of Gaseous Explosives Using Generalized Reduced Gradient Nonlinear Optimization

2011-08-01
Ulaş, Abdullah
Cengiz, Fatih
In this paper, a study on the development of a numerical modeling of the detonation of C-H-N-O-based gaseous explosives is presented. In accordance with the numerical model, a FORTRAN computer code named GasPX has been developed to compute both the detonation point and the detonation properties on the basis of Chapman-Jouguet (C-J) theory. The determination of the detonation properties in GasPX is performed in chemical equilibrium and steady-state conditions. GasPX has two improvements over other thermodynamic equilibrium codes, which predict steady-state detonation properties of gaseous explosives. First, GasPX employs a nonlinear optimization code based on Generalized Reduced Gradient (GRG) algorithm to compute the equilibrium composition of the detonation products. This optimization code provides a higher level of robustness of the solutions and global optimum determination efficiency. Second, GasPX can calculate the solid carbon formation in the products for gaseous explosives with high carbon content. Detonation properties such as detonation pressure, detonation temperature, detonation energy, mole fractions of species at the detonation point, etc. have been calculated by GasPX for many gaseous explosives. The comparison between the results from this study and those of CEA code by NASA and the experimental studies in the literature are in good agreement.