EUDetCode - Toward Enhanced Modelling of Performance of Explosives and Propellants

This report describes the background for, and highlights a few scientific challenges related to, the development of a new European thermochemical code. In the introduction, we describe why this type a computational resource is a key component in applied research with focus on weapons effects, propulsion and protection technology. In the next section, a few well-established equations of state are discussed and compared followed by an example of how molecular-based models may be used to predict thermodynamic states in hot dense fluids. Finally, we demonstrate and discuss the importance of including specific equations of state for condensed phases in the reaction products, specifically carbon in the form of graphite and diamond as well as aluminium.