EXPLO5

EXPLO5™ is thermochemical computer program that predicts the performance of energetic materials on the basis of chemical formula, heat of formation, and density. As such, EXPLO5™ is a useful tool in synthesis, formulation, and numerical modelling of energetic materials.

EXPLO5™ calculates equilibrium composition and thermodynamic properties of state of products species at a given   V,p,T state applying the free energy minimization techniques. These data, together with the Chapman-Jouguet detonation theory, enable calculation of detonation parameters.

From the equilibrium composition and thermodynamic parameters of state along the isentropic expansion the program calculates the coefficients in Jones-Wilkins-Lee (JWL) equation of state by a JWL fitting subroutine built in, and energy available for performing mechanical work. By combining thermodynamic properties of the products and conservation equations under constant pressure combustion conditions, the program predicts specific energy (or force, impetus) under constant volume combustion conditions.

The program uses the Becker-Kistiakowsky-Wilson (BKW), modified Becker-Kistiakowsky-Wilson, and EXP- 6 equations of state for gaseous detonation products, the ideal gas and virial equations of state of gaseous combustion products, and the Murnaghan equation of states for condensed products.

The current version of EXPLO5™ program (Version V6.04) has significant improvements over the previous (V6.03). The most important improvement in the V6.04 version is incorporation of the Wood and Kirkwood slightly divergent theory in order to model detonation properties of non-ideal samples. Thanks to these, the accuracy of prediction of detonation parameters has been considerable improved.

The important characteristic of the program is possibility to treat a larger number of chemical elements that constitute reactants. The Database includes 38 elements: C, H, N, O, Al, Cl, Si, F, B, Ba, Ca, Na, P, Li, K, S, Mg, Mn, Zr, Mo, Cu, Fe, Ni, Pb, Sb, Hg, Be, Ti, I, Xe, U, W, Sr, Cr, Br, Co, Ag, and Zn. This makes EXPLO5™ capable of predicting detonation and combustion performance .

EXPLO5™’s Database is updated with new reactants and products – it contains now around 400 reactants, more than 660 products (including different phases of the same product). The Database access can be customized for multiple users on one computer, and can be easily manipulated (add/remove/modified reactants and products).